2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine

C12H15N5 — CID 104743873

IUPAC2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESNc1cccnc1-c1nncn1C1CCCC1
InChIInChI=1S/C12H15N5/c13-10-6-3-7-14-11(10)12-16-15-8-17(12)9-4-1-2-5-9/h3,6-9H,1-2,4-5,13H2
InChIKeyHOFCOQBWHMPIRM-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.04
Rot. Bonds2

About 2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine

2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 104743873) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID104743873
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESNc1cccnc1-c1nncn1C1CCCC1
InChIInChI=1S/C12H15N5/c13-10-6-3-7-14-11(10)12-16-15-8-17(12)9-4-1-2-5-9/h3,6-9H,1-2,4-5,13H2
InChIKeyHOFCOQBWHMPIRM-UHFFFAOYSA-N
XLogP2.04
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 104743873) is 2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for 2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine is Nc1cccnc1-c1nncn1C1CCCC1.
What is the InChIKey of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is HOFCOQBWHMPIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-10-6-3-7-14-11(10)12-16-15-8-17(12)9-4-1-2-5-9/h3,6-9H,1-2,4-5,13H2.
What are the key properties of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine?
2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 229.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 104743873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).