[5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine

C13H24N4S — CID 64747521

IUPAC[5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SC1CCC(C)CC1
InChIInChI=1S/C13H24N4S/c1-3-8-17-12(9-14)15-16-13(17)18-11-6-4-10(2)5-7-11/h10-11H,3-9,14H2,1-2H3
InChIKeyWCJPUCXNRCHNQA-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.82
Rot. Bonds5

About [5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine

[5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 64747521) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is [5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID64747521
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name[5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SC1CCC(C)CC1
InChIInChI=1S/C13H24N4S/c1-3-8-17-12(9-14)15-16-13(17)18-11-6-4-10(2)5-7-11/h10-11H,3-9,14H2,1-2H3
InChIKeyWCJPUCXNRCHNQA-UHFFFAOYSA-N
XLogP2.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 64747521) is [5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1SC1CCC(C)CC1.
What is the InChIKey of [5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is WCJPUCXNRCHNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-3-8-17-12(9-14)15-16-13(17)18-11-6-4-10(2)5-7-11/h10-11H,3-9,14H2,1-2H3.
What are the key properties of [5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 268.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylcyclohexyl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 64747521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).