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

C10H18N4S — CID 43530560

IUPAC[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESCn1cnnc1SC1CCCCC1CN
InChIInChI=1S/C10H18N4S/c1-14-7-12-13-10(14)15-9-5-3-2-4-8(9)6-11/h7-9H,2-6,11H2,1H3
InChIKeyLBIVFUGJKHHKCG-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.42
Rot. Bonds3

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

[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 43530560) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID43530560
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESCn1cnnc1SC1CCCCC1CN
InChIInChI=1S/C10H18N4S/c1-14-7-12-13-10(14)15-9-5-3-2-4-8(9)6-11/h7-9H,2-6,11H2,1H3
InChIKeyLBIVFUGJKHHKCG-UHFFFAOYSA-N
XLogP1.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (CID 43530560) is [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is Cn1cnnc1SC1CCCCC1CN.
What is the InChIKey of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is LBIVFUGJKHHKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-14-7-12-13-10(14)15-9-5-3-2-4-8(9)6-11/h7-9H,2-6,11H2,1H3.
What are the key properties of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 226.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 43530560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).