1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine

C14H18N4 — CID 117358245

IUPAC1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine
SMILESNC1(c2ccc(-n3nccn3)cc2)CCCCC1
InChIInChI=1S/C14H18N4/c15-14(8-2-1-3-9-14)12-4-6-13(7-5-12)18-16-10-11-17-18/h4-7,10-11H,1-3,8-9,15H2
InChIKeyMCZRKIGRPXJXAJ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.39
Rot. Bonds2

About 1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine

1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine (PubChem CID 117358245) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine
PubChem CID117358245
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine
SMILESNC1(c2ccc(-n3nccn3)cc2)CCCCC1
InChIInChI=1S/C14H18N4/c15-14(8-2-1-3-9-14)12-4-6-13(7-5-12)18-16-10-11-17-18/h4-7,10-11H,1-3,8-9,15H2
InChIKeyMCZRKIGRPXJXAJ-UHFFFAOYSA-N
XLogP2.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine (CID 117358245) is 1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine is NC1(c2ccc(-n3nccn3)cc2)CCCCC1.
What is the InChIKey of 1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine?
The InChIKey is MCZRKIGRPXJXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-14(8-2-1-3-9-14)12-4-6-13(7-5-12)18-16-10-11-17-18/h4-7,10-11H,1-3,8-9,15H2.
What are the key properties of 1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine?
1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine has a molecular weight of 242.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117358245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).