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

C14H19N5 — CID 80706323

IUPACN-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC1(C)CCC(Nc2cccnc2-n2cncn2)C1
InChIInChI=1S/C14H19N5/c1-14(2)6-5-11(8-14)18-12-4-3-7-16-13(12)19-10-15-9-17-19/h3-4,7,9-11,18H,5-6,8H2,1-2H3
InChIKeyPKDKGQJKBDPVEU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds3

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

N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 80706323) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID80706323
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC1(C)CCC(Nc2cccnc2-n2cncn2)C1
InChIInChI=1S/C14H19N5/c1-14(2)6-5-11(8-14)18-12-4-3-7-16-13(12)19-10-15-9-17-19/h3-4,7,9-11,18H,5-6,8H2,1-2H3
InChIKeyPKDKGQJKBDPVEU-UHFFFAOYSA-N
XLogP2.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 80706323) is N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is CC1(C)CCC(Nc2cccnc2-n2cncn2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is PKDKGQJKBDPVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-14(2)6-5-11(8-14)18-12-4-3-7-16-13(12)19-10-15-9-17-19/h3-4,7,9-11,18H,5-6,8H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 80706323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).