2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine

C11H20N4S — CID 62576461

IUPAC2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCCC1NCCSc1ncn[nH]1
InChIInChI=1S/C11H20N4S/c1-9-4-2-3-5-10(9)12-6-7-16-11-13-8-14-15-11/h8-10,12H,2-7H2,1H3,(H,13,14,15)
InChIKeyKURJIDBPENRZSR-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.07
Rot. Bonds5

About 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine

2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 62576461) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID62576461
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCCC1NCCSc1ncn[nH]1
InChIInChI=1S/C11H20N4S/c1-9-4-2-3-5-10(9)12-6-7-16-11-13-8-14-15-11/h8-10,12H,2-7H2,1H3,(H,13,14,15)
InChIKeyKURJIDBPENRZSR-UHFFFAOYSA-N
XLogP2.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine 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 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine (CID 62576461) is 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine is CC1CCCCC1NCCSc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is KURJIDBPENRZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9-4-2-3-5-10(9)12-6-7-16-11-13-8-14-15-11/h8-10,12H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine?
2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 240.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62576461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).