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

C16H23N5 — CID 65083355

IUPACN-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC1(C)CCCC(Nc2cccnc2-n2cncn2)CC1
InChIInChI=1S/C16H23N5/c1-16(2)8-3-5-13(7-9-16)20-14-6-4-10-18-15(14)21-12-17-11-19-21/h4,6,10-13,20H,3,5,7-9H2,1-2H3
InChIKeySZFQGJNBXXNIEJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.43
Rot. Bonds3

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

N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 65083355) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID65083355
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC1(C)CCCC(Nc2cccnc2-n2cncn2)CC1
InChIInChI=1S/C16H23N5/c1-16(2)8-3-5-13(7-9-16)20-14-6-4-10-18-15(14)21-12-17-11-19-21/h4,6,10-13,20H,3,5,7-9H2,1-2H3
InChIKeySZFQGJNBXXNIEJ-UHFFFAOYSA-N
XLogP3.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,4-dimethylcycloheptyl)-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-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 65083355) is N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is CC1(C)CCCC(Nc2cccnc2-n2cncn2)CC1.
What is the InChIKey of N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is SZFQGJNBXXNIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(2)8-3-5-13(7-9-16)20-14-6-4-10-18-15(14)21-12-17-11-19-21/h4,6,10-13,20H,3,5,7-9H2,1-2H3.
What are the key properties of N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 65083355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).