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Home > Pyridines > 932233-33-5
932233-33-5 | pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CAS No: 932233-33-5 Catalog No: AG00GVFN MDL No:MFCD09438567
Product Description
Catalog Number:
AG00GVFN
Chemical Name:
pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
CAS Number:
932233-33-5
Molecular Formula:
C8H5N5O
Molecular Weight:
187.1582
MDL Number:
MFCD09438567
IUPAC Name:
2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
InChI:
InChI=1S/C8H5N5O/c14-7-5-3-10-8-11-4-12-13(8)6(5)1-2-9-7/h1-4H,(H,9,14)
InChI Key:
NOTICOWTACQVJS-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1cnc1n2ncn1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.162g/mol
Monoisotopic Mass:
187.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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