3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C13H18N4 — CID 62538872

IUPAC3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(CCC3CCCC3)n2c1
InChIInChI=1S/C13H18N4/c14-11-6-8-13-16-15-12(17(13)9-11)7-5-10-3-1-2-4-10/h6,8-10H,1-5,7,14H2
InChIKeyKYWOSQXFTDQPGX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.43
Rot. Bonds3

About 3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 62538872) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID62538872
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(CCC3CCCC3)n2c1
InChIInChI=1S/C13H18N4/c14-11-6-8-13-16-15-12(17(13)9-11)7-5-10-3-1-2-4-10/h6,8-10H,1-5,7,14H2
InChIKeyKYWOSQXFTDQPGX-UHFFFAOYSA-N
XLogP2.43
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 62538872) is 3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Nc1ccc2nnc(CCC3CCCC3)n2c1.
What is the InChIKey of 3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is KYWOSQXFTDQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-11-6-8-13-16-15-12(17(13)9-11)7-5-10-3-1-2-4-10/h6,8-10H,1-5,7,14H2.
What are the key properties of 3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 230.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 62538872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).