6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C7H8N4O — CID 55268557

IUPAC6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2ccc(N)cn2c1=O
InChIInChI=1S/C7H8N4O/c1-10-7(12)11-4-5(8)2-3-6(11)9-10/h2-4H,8H2,1H3
InChIKeyJTKHNDCYAREOCN-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.38
Rot. Bonds

About 6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 55268557) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID55268557
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2ccc(N)cn2c1=O
InChIInChI=1S/C7H8N4O/c1-10-7(12)11-4-5(8)2-3-6(11)9-10/h2-4H,8H2,1H3
InChIKeyJTKHNDCYAREOCN-UHFFFAOYSA-N
XLogP-0.38
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one
CID 81431
8-amino-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 71468665
2-(prop-2-en-1-yl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 70521154
1-Butan-2-yl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47092526
1-Ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47481211
2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43184095
2-(2-aminoethyl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 43184083
7-amino-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 130120575
2-methyl-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 15414532
2-propyl-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 20577013
2-Tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 57691778
5,6,7,8-tetradeuterio-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 57825805

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 55268557) is 6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1nc2ccc(N)cn2c1=O.
What is the InChIKey of 6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is JTKHNDCYAREOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-10-7(12)11-4-5(8)2-3-6(11)9-10/h2-4H,8H2,1H3.
What are the key properties of 6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 164.17 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 55268557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).