2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C6H6N4O — CID 105429402

IUPAC2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESNc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C6H6N4O/c7-6-8-4-2-1-3-5(11)10(4)9-6/h1-3H,(H3,7,8,9)
InChIKeyVOQXTXOKALDZSX-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.40
Rot. Bonds

About 2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 105429402) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID105429402
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESNc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C6H6N4O/c7-6-8-4-2-1-3-5(11)10(4)9-6/h1-3H,(H3,7,8,9)
InChIKeyVOQXTXOKALDZSX-UHFFFAOYSA-N
XLogP-0.40
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-Diaminopyridone
CID 129797604
3H-tetrazolo[1,5-a]pyridin-5-one
CID 21863983
2-bromo-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 70908949
[1,2,4]Triazolo[1,5-a]pyridin-5-ol
CID 91608405
ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 172614898
2,3-dihydro-1H-tetrazolo[1,5-a]pyridin-5-one
CID 173566391
2-methyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132938

Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 105429402) is 2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is Nc1nc2cccc(=O)n2[nH]1.
What is the InChIKey of 2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is VOQXTXOKALDZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-6-8-4-2-1-3-5(11)10(4)9-6/h1-3H,(H3,7,8,9).
What are the key properties of 2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 150.14 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 105429402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).