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

C17H24N4 — CID 62489063

IUPAC1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine
SMILESCc1nnc(C(C)(N)c2ccccc2)n1C1CCCCC1
InChIInChI=1S/C17H24N4/c1-13-19-20-16(21(13)15-11-7-4-8-12-15)17(2,18)14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-12,18H2,1-2H3
InChIKeyRGHKCURYIPURGQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.31
Rot. Bonds3

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

1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine (PubChem CID 62489063) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine.

Molecular Properties

Compound Name1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine
PubChem CID62489063
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine
SMILESCc1nnc(C(C)(N)c2ccccc2)n1C1CCCCC1
InChIInChI=1S/C17H24N4/c1-13-19-20-16(21(13)15-11-7-4-8-12-15)17(2,18)14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-12,18H2,1-2H3
InChIKeyRGHKCURYIPURGQ-UHFFFAOYSA-N
XLogP3.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine?
The IUPAC name of 1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine (CID 62489063) is 1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine.
What is the SMILES notation for 1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine?
The canonical SMILES for 1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine is Cc1nnc(C(C)(N)c2ccccc2)n1C1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine?
The InChIKey is RGHKCURYIPURGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-19-20-16(21(13)15-11-7-4-8-12-15)17(2,18)14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-12,18H2,1-2H3.
What are the key properties of 1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine?
1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine has a molecular weight of 284.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-1-phenylethanamine is sourced from PubChem (CID 62489063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).