[4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine

C11H20N4S — CID 61347074

IUPAC[4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1nc(SC2CC(C)CCC2CN)n[nH]1
InChIInChI=1S/C11H20N4S/c1-7-3-4-9(6-12)10(5-7)16-11-13-8(2)14-15-11/h7,9-10H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyUHAGAKHEZBABJP-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.97
Rot. Bonds3

About [4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine

[4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 61347074) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is [4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID61347074
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name[4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1nc(SC2CC(C)CCC2CN)n[nH]1
InChIInChI=1S/C11H20N4S/c1-7-3-4-9(6-12)10(5-7)16-11-13-8(2)14-15-11/h7,9-10H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyUHAGAKHEZBABJP-UHFFFAOYSA-N
XLogP1.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine (CID 61347074) is [4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is Cc1nc(SC2CC(C)CCC2CN)n[nH]1.
What is the InChIKey of [4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is UHAGAKHEZBABJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-7-3-4-9(6-12)10(5-7)16-11-13-8(2)14-15-11/h7,9-10H,3-6,12H2,1-2H3,(H,13,14,15).
What are the key properties of [4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine?
[4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 240.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 61347074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).