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125373-19-5 | [1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 1,3a-dihydro-5-methyl-
CAS No: 125373-19-5 Catalog No: AG000NKA MDL No:
Product Description
Catalog Number:
AG000NKA
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 1,3a-dihydro-5-methyl-
CAS Number:
125373-19-5
Molecular Formula:
C6H8N4O
Molecular Weight:
152.1539
IUPAC Name:
5-methyl-3a,4-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C6H8N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2-3,6,9H,1H3,(H,7,8)
InChI Key:
MDZAEIJGRHEMEI-UHFFFAOYSA-N
SMILES:
CC1=NC2N(C(=C1)O)NC=N2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.07g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.157g/mol
Monoisotopic Mass:
152.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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