[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine

C17H32N4 — CID 115944223

IUPAC[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)Cn1c(CN)nnc1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H32N4/c1-12(2)11-21-15(10-18)19-20-16(21)13-6-8-14(9-7-13)17(3,4)5/h12-14H,6-11,18H2,1-5H3
InChIKeyBNEMCZWRASWGAK-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.71
Rot. Bonds4

About [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine

[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 115944223) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID115944223
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)Cn1c(CN)nnc1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H32N4/c1-12(2)11-21-15(10-18)19-20-16(21)13-6-8-14(9-7-13)17(3,4)5/h12-14H,6-11,18H2,1-5H3
InChIKeyBNEMCZWRASWGAK-UHFFFAOYSA-N
XLogP3.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (CID 115944223) is [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is CC(C)Cn1c(CN)nnc1C1CCC(C(C)(C)C)CC1.
What is the InChIKey of [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is BNEMCZWRASWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-12(2)11-21-15(10-18)19-20-16(21)13-6-8-14(9-7-13)17(3,4)5/h12-14H,6-11,18H2,1-5H3.
What are the key properties of [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
[5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 292.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tert-butylcyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 115944223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).