2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C11H11N7O2 — CID 60983316

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCc1ncn[nH]1
InChIInChI=1S/C11H11N7O2/c19-10(12-5-8-13-7-14-15-8)6-18-11(20)17-4-2-1-3-9(17)16-18/h1-4,7H,5-6H2,(H,12,19)(H,13,14,15)
InChIKeyITVFLUPGWZELCO-UHFFFAOYSA-N
MW273.26 g/mol
LogP-1.07
Rot. Bonds4

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 60983316) has the molecular formula C11H11N7O2 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID60983316
Molecular FormulaC11H11N7O2
Molecular Weight273.26 g/mol
Exact Mass273.10
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NCc1ncn[nH]1
InChIInChI=1S/C11H11N7O2/c19-10(12-5-8-13-7-14-15-8)6-18-11(20)17-4-2-1-3-9(17)16-18/h1-4,7H,5-6H2,(H,12,19)(H,13,14,15)
InChIKeyITVFLUPGWZELCO-UHFFFAOYSA-N
XLogP-1.07
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylprop-2-enyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 114618575
N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115649624
2-hydroxy-3-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanamide
CID 107261312
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134019436
2-(benzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885288
N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007085
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 47074456
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007097
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982939
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537846
2-(2-phenylethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883436

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 60983316) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(Cn1nc2ccccn2c1=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is ITVFLUPGWZELCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O2/c19-10(12-5-8-13-7-14-15-8)6-18-11(20)17-4-2-1-3-9(17)16-18/h1-4,7H,5-6H2,(H,12,19)(H,13,14,15).
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 273.26 g/mol, XLogP of -1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 60983316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).