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

C11H20N4S — CID 43530558

IUPAC[4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2nncn2C)C1
InChIInChI=1S/C11H20N4S/c1-8-3-4-9(6-12)10(5-8)16-11-14-13-7-15(11)2/h7-10H,3-6,12H2,1-2H3
InChIKeyPITHBIDFILXSMC-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.67
Rot. Bonds3

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

[4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 43530558) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is [4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID43530558
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name[4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2nncn2C)C1
InChIInChI=1S/C11H20N4S/c1-8-3-4-9(6-12)10(5-8)16-11-14-13-7-15(11)2/h7-10H,3-6,12H2,1-2H3
InChIKeyPITHBIDFILXSMC-UHFFFAOYSA-N
XLogP1.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (CID 43530558) is [4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is CC1CCC(CN)C(Sc2nncn2C)C1.
What is the InChIKey of [4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is PITHBIDFILXSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8-3-4-9(6-12)10(5-8)16-11-14-13-7-15(11)2/h7-10H,3-6,12H2,1-2H3.
What are the key properties of [4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
[4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 240.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 43530558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).