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

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Related Compounds

1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
CID 787081
5,10-dicyclopentyl-1-pyridin-2-ylphenazine
CID 153432933
2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 44827945
(8R)-8-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462461
1-(3-methylcyclohexyl)pyrrole-2-carbaldehyde
CID 43476950
4-bromo-1-(3-methylcyclohexyl)imidazole
CID 165446237
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402334
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
CID 61338696
9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171973283
(6S)-6-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462506
6-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154346

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).