imidazo[1,5-a]pyrazin-8(7H)-one(CAS No. 56468-21-4) CAS NO.56468-21-4

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Product Details

Keywords

1,4,8-triazabicyclo[4.3.0]nona-2,6,8-trien-5-one
56468-21-4
98%

Quick Details

ProName: imidazo[1,5-a]pyrazin-8(7H)-one(CAS No...
CasNo: 56468-21-4
Molecular Formula: C6H5N3O
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: As requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Kilogram

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Details

【Name】
imidazo[1,5-a]pyrazin-8(7H)-one
【Iupac name】
7H-imidazo[1,5-a]pyrazin-8-one
【CAS Registry number】
56468-21-4
【Synonyms】
NSC209767
AC1L7CP5
7H-imidazo[1,5-a]pyrazin-8-one
AKOS006356909
NSC-209767
56468-21-4
【Molecular Formula】
C6H5N3O (Products with the same molecular formula)
【Molecular Weight】
135.1234
【Inchi】
InChI=1/C6H5N3O/c10-6-5-3-7-4-9(5)2-1-8-6/h1-4H,(H,8,10)
【Canonical SMILES】
C1=CN2C=NC=C2C(=O)N1
Chemical and Physical Properties
【Density】
1.51g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.738
【Flash Point】
°C
【Computed Properties】
Molecular Weight:135.1234 [g/mol]
Molecular Formula:C6H5N3O
XLogP3-AA:-0.5
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:135.043262
MonoIsotopic Mass:135.043262
Topological Polar Surface Area:46.9
Heavy Atom Count:10
Formal Charge:0
Complexity:189
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

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