1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide

C13H14N6O — CID 32856424

IUPAC1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2nnc3ccccn23)cn1
InChIInChI=1S/C13H14N6O/c1-18-9-10(8-15-18)13(20)14-6-5-12-17-16-11-4-2-3-7-19(11)12/h2-4,7-9H,5-6H2,1H3,(H,14,20)
InChIKeySTEUODAQQXBRKK-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.44
Rot. Bonds4

About 1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide

1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 32856424) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID32856424
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2nnc3ccccn23)cn1
InChIInChI=1S/C13H14N6O/c1-18-9-10(8-15-18)13(20)14-6-5-12-17-16-11-4-2-3-7-19(11)12/h2-4,7-9H,5-6H2,1H3,(H,14,20)
InChIKeySTEUODAQQXBRKK-UHFFFAOYSA-N
XLogP0.44
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide (CID 32856424) is 1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCCc2nnc3ccccn23)cn1.
What is the InChIKey of 1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is STEUODAQQXBRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-18-9-10(8-15-18)13(20)14-6-5-12-17-16-11-4-2-3-7-19(11)12/h2-4,7-9H,5-6H2,1H3,(H,14,20).
What are the key properties of 1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 32856424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).