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

C14H24N4 — CID 55146919

IUPAC3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2n[nH]c(C3CCCCC3)n2)C1
InChIInChI=1S/C14H24N4/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h10-12H,1-9,15H2,(H,16,17,18)
InChIKeyPYKYRRBMHVNVDB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.84
Rot. Bonds2

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

3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 55146919) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID55146919
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2n[nH]c(C3CCCCC3)n2)C1
InChIInChI=1S/C14H24N4/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h10-12H,1-9,15H2,(H,16,17,18)
InChIKeyPYKYRRBMHVNVDB-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 55146919) is 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine is NC1CCCC(c2n[nH]c(C3CCCCC3)n2)C1.
What is the InChIKey of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is PYKYRRBMHVNVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h10-12H,1-9,15H2,(H,16,17,18).
What are the key properties of 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 55146919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).