[1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine

C14H24N4 — CID 115437062

IUPAC[1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine
SMILESNCC1(c2n[nH]c(C3CCCC3)n2)CCCCC1
InChIInChI=1S/C14H24N4/c15-10-14(8-4-1-5-9-14)13-16-12(17-18-13)11-6-2-3-7-11/h11H,1-10,15H2,(H,16,17,18)
InChIKeyBHWGSGODVWOYJA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds3

About [1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine

[1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine (PubChem CID 115437062) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine
PubChem CID115437062
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name[1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine
SMILESNCC1(c2n[nH]c(C3CCCC3)n2)CCCCC1
InChIInChI=1S/C14H24N4/c15-10-14(8-4-1-5-9-14)13-16-12(17-18-13)11-6-2-3-7-11/h11H,1-10,15H2,(H,16,17,18)
InChIKeyBHWGSGODVWOYJA-UHFFFAOYSA-N
XLogP2.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447053
5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole
CID 63145213
2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
CID 115429046
[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800850
2-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
CID 165440577
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 62674842
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451878
5-cyclohexyl-3-(2,4-dimethylpentan-3-yl)-1H-1,2,4-triazole
CID 114282263
cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
CID 61337578
[1-(2-cyclohexyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
CID 116890992
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 55146919

Frequently Asked Questions

What is the IUPAC name of [1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine (CID 115437062) is [1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine is NCC1(c2n[nH]c(C3CCCC3)n2)CCCCC1.
What is the InChIKey of [1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine?
The InChIKey is BHWGSGODVWOYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-10-14(8-4-1-5-9-14)13-16-12(17-18-13)11-6-2-3-7-11/h11H,1-10,15H2,(H,16,17,18).
What are the key properties of [1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine?
[1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 115437062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).