2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

C15H26N4 — CID 64815858

IUPAC2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCn1nc(C2CCCCC2)nc1C1CCCCC1N
InChIInChI=1S/C15H26N4/c1-19-15(12-9-5-6-10-13(12)16)17-14(18-19)11-7-3-2-4-8-11/h11-13H,2-10,16H2,1H3
InChIKeyDPJKLTAAXVYQON-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds2

About 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 64815858) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID64815858
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCn1nc(C2CCCCC2)nc1C1CCCCC1N
InChIInChI=1S/C15H26N4/c1-19-15(12-9-5-6-10-13(12)16)17-14(18-19)11-7-3-2-4-8-11/h11-13H,2-10,16H2,1H3
InChIKeyDPJKLTAAXVYQON-UHFFFAOYSA-N
XLogP2.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 62720546
(1S,6R)-6-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963303
3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62722373
2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 64815854
2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 82567746
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 65390691
4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 62722912
4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
CID 66249794
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
CID 62794324
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
CID 62722916
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
CID 55111608
1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 62722907

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 64815858) is 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is Cn1nc(C2CCCCC2)nc1C1CCCCC1N.
What is the InChIKey of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is DPJKLTAAXVYQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-19-15(12-9-5-6-10-13(12)16)17-14(18-19)11-7-3-2-4-8-11/h11-13H,2-10,16H2,1H3.
What are the key properties of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 64815858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).