7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C12H14N6 — CID 54951187

IUPAC7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCCn2cccn2)n2ncnc2c1
InChIInChI=1S/C12H14N6/c1-10-7-11(18-12(8-10)14-9-16-18)13-4-6-17-5-2-3-15-17/h2-3,5,7-9,13H,4,6H2,1H3
InChIKeyIOWGLHXMMXUTHK-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.35
Rot. Bonds4

About 7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 54951187) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID54951187
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCCn2cccn2)n2ncnc2c1
InChIInChI=1S/C12H14N6/c1-10-7-11(18-12(8-10)14-9-16-18)13-4-6-17-5-2-3-15-17/h2-3,5,7-9,13H,4,6H2,1H3
InChIKeyIOWGLHXMMXUTHK-UHFFFAOYSA-N
XLogP1.35
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 54951187) is 7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NCCn2cccn2)n2ncnc2c1.
What is the InChIKey of 7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is IOWGLHXMMXUTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-10-7-11(18-12(8-10)14-9-16-18)13-4-6-17-5-2-3-15-17/h2-3,5,7-9,13H,4,6H2,1H3.
What are the key properties of 7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 242.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 54951187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).