2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H10N6O3 — CID 62401862

IUPAC2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cn1cc(CO)nn1)n1nc2ccccn2c1=O
InChIInChI=1S/C11H10N6O3/c18-7-8-5-15(14-12-8)6-10(19)17-11(20)16-4-2-1-3-9(16)13-17/h1-5,18H,6-7H2
InChIKeyLRAOVHBCCBJQKL-UHFFFAOYSA-N
MW274.24 g/mol
LogP-1.08
Rot. Bonds3

About 2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62401862) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62401862
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cn1cc(CO)nn1)n1nc2ccccn2c1=O
InChIInChI=1S/C11H10N6O3/c18-7-8-5-15(14-12-8)6-10(19)17-11(20)16-4-2-1-3-9(16)13-17/h1-5,18H,6-7H2
InChIKeyLRAOVHBCCBJQKL-UHFFFAOYSA-N
XLogP-1.08
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62401862) is 2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(Cn1cc(CO)nn1)n1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is LRAOVHBCCBJQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3/c18-7-8-5-15(14-12-8)6-10(19)17-11(20)16-4-2-1-3-9(16)13-17/h1-5,18H,6-7H2.
What are the key properties of 2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 274.24 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62401862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).