2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine

C14H19N3 — CID 166956608

IUPAC2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine
SMILESCC1CCCC(n2cc(-c3ccccn3)[nH]2)C1
InChIInChI=1S/C14H19N3/c1-11-5-4-6-12(9-11)17-10-14(16-17)13-7-2-3-8-15-13/h2-3,7-8,10-12,16H,4-6,9H2,1H3
InChIKeyPOXNIPMTXIQVAM-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.63
Rot. Bonds2

About 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine

2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine (PubChem CID 166956608) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine.

Molecular Properties

Compound Name2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine
PubChem CID166956608
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine
SMILESCC1CCCC(n2cc(-c3ccccn3)[nH]2)C1
InChIInChI=1S/C14H19N3/c1-11-5-4-6-12(9-11)17-10-14(16-17)13-7-2-3-8-15-13/h2-3,7-8,10-12,16H,4-6,9H2,1H3
InChIKeyPOXNIPMTXIQVAM-UHFFFAOYSA-N
XLogP3.63
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine 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 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine?
The IUPAC name of 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine (CID 166956608) is 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine.
What is the SMILES notation for 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine?
The canonical SMILES for 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine is CC1CCCC(n2cc(-c3ccccn3)[nH]2)C1.
What is the InChIKey of 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine?
The InChIKey is POXNIPMTXIQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-5-4-6-12(9-11)17-10-14(16-17)13-7-2-3-8-15-13/h2-3,7-8,10-12,16H,4-6,9H2,1H3.
What are the key properties of 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine?
2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine has a molecular weight of 229.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylcyclohexyl)-1H-diazet-4-yl]pyridine is sourced from PubChem (CID 166956608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).