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37962-89-3 | 3H,4H-pyrido[3,2-d][1,2,3]triazin-4-one
CAS No: 37962-89-3 Catalog No: AG01C3OZ MDL No:MFCD25962931
Product Description
Catalog Number:
AG01C3OZ
Chemical Name:
3H,4H-pyrido[3,2-d][1,2,3]triazin-4-one
CAS Number:
37962-89-3
Molecular Formula:
C6H4N4O
Molecular Weight:
148.1222
MDL Number:
MFCD25962931
IUPAC Name:
3H-pyrido[3,2-d]triazin-4-one
InChI:
InChI=1S/C6H4N4O/c11-6-5-4(8-10-9-6)2-1-3-7-5/h1-3H,(H,8,9,11)
InChI Key:
BPWKCMCCJSAUDE-UHFFFAOYSA-N
SMILES:
O=c1[nH]nnc2c1nccc2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.125g/mol
Monoisotopic Mass:
148.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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