[4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine

C17H24N4 — CID 115443135

IUPAC[4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine
SMILESCc1nnc(C2(CN)CCC(C)CC2)n1-c1ccccc1
InChIInChI=1S/C17H24N4/c1-13-8-10-17(12-18,11-9-13)16-20-19-14(2)21(16)15-6-4-3-5-7-15/h3-7,13H,8-12,18H2,1-2H3
InChIKeySAEQEVDINIOXIG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.98
Rot. Bonds3

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

[4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine (PubChem CID 115443135) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is [4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine
PubChem CID115443135
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name[4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine
SMILESCc1nnc(C2(CN)CCC(C)CC2)n1-c1ccccc1
InChIInChI=1S/C17H24N4/c1-13-8-10-17(12-18,11-9-13)16-20-19-14(2)21(16)15-6-4-3-5-7-15/h3-7,13H,8-12,18H2,1-2H3
InChIKeySAEQEVDINIOXIG-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(5-Cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea
CID 138674558
1-[3-[5-Cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-3-(2-methylcyclohexyl)urea
CID 156015067
N,N-dimethyl-2-(6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethanamine
CID 12612419
2-[(5-cyclohexyl-1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-amine
CID 2421311
4-[5-Ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine
CID 71762537
1-[5-Ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine
CID 71762538
1-[(dimethylamino)-methyl]-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine
CID 12612384
2-(6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethanamine
CID 12612410
1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-amine
CID 13953713
4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 1-phenyl-N,N,4-trimethyl-
CID 3076965
4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-diethyl-1-phenyl-
CID 3076972
3,5-Bis(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
CID 21932915

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine (CID 115443135) is [4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine is Cc1nnc(C2(CN)CCC(C)CC2)n1-c1ccccc1.
What is the InChIKey of [4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine?
The InChIKey is SAEQEVDINIOXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-8-10-17(12-18,11-9-13)16-20-19-14(2)21(16)15-6-4-3-5-7-15/h3-7,13H,8-12,18H2,1-2H3.
What are the key properties of [4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine?
[4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine has a molecular weight of 284.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 115443135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).