2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H12N6O — CID 55039444

IUPAC2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNc1cnn(CCn2nc3ccccn3c2=O)c1
InChIInChI=1S/C11H12N6O/c12-9-7-13-15(8-9)5-6-17-11(18)16-4-2-1-3-10(16)14-17/h1-4,7-8H,5-6,12H2
InChIKeyXMBSVKZIQUJCIW-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.03
Rot. Bonds3

About 2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 55039444) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID55039444
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNc1cnn(CCn2nc3ccccn3c2=O)c1
InChIInChI=1S/C11H12N6O/c12-9-7-13-15(8-9)5-6-17-11(18)16-4-2-1-3-10(16)14-17/h1-4,7-8H,5-6,12H2
InChIKeyXMBSVKZIQUJCIW-UHFFFAOYSA-N
XLogP-0.03
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 55039444) is 2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Nc1cnn(CCn2nc3ccccn3c2=O)c1.
What is the InChIKey of 2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is XMBSVKZIQUJCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-9-7-13-15(8-9)5-6-17-11(18)16-4-2-1-3-10(16)14-17/h1-4,7-8H,5-6,12H2.
What are the key properties of 2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 244.26 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 55039444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).