N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline

C16H22N4 — CID 43711534

IUPACN-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
SMILESCC1CCCC(C)C1Nc1ccccc1-n1cncn1
InChIInChI=1S/C16H22N4/c1-12-6-5-7-13(2)16(12)19-14-8-3-4-9-15(14)20-11-17-10-18-20/h3-4,8-13,16,19H,5-7H2,1-2H3
InChIKeyOIKPVMIBZKJYFL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds3

About N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline

N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 43711534) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
PubChem CID43711534
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
SMILESCC1CCCC(C)C1Nc1ccccc1-n1cncn1
InChIInChI=1S/C16H22N4/c1-12-6-5-7-13(2)16(12)19-14-8-3-4-9-15(14)20-11-17-10-18-20/h3-4,8-13,16,19H,5-7H2,1-2H3
InChIKeyOIKPVMIBZKJYFL-UHFFFAOYSA-N
XLogP3.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43680892
N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline
CID 103439007
N-(3-methylcyclobutyl)-2-(1,2,4-triazol-1-yl)aniline
CID 103561298
N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-3-amine
CID 79730381
N-[2-(1,2,4-triazol-1-yl)phenyl]thian-3-amine
CID 62872900
N-[2-(1,2,4-triazol-1-yl)phenyl]formamide
CID 64991070
N-(2,6-dimethylcyclohexyl)-2-methylaniline
CID 43107290
5,5-dimethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]thian-3-amine
CID 79958612
2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide
CID 82764172
(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913002
N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline
CID 106633347
N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 65080282

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline (CID 43711534) is N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline is CC1CCCC(C)C1Nc1ccccc1-n1cncn1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is OIKPVMIBZKJYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-6-5-7-13(2)16(12)19-14-8-3-4-9-15(14)20-11-17-10-18-20/h3-4,8-13,16,19H,5-7H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline?
N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 270.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 43711534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).