(5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine

C10H18N4S — CID 63315628

IUPAC(5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1c(CN)nnc1SC1CCCCC1
InChIInChI=1S/C10H18N4S/c1-14-9(7-11)12-13-10(14)15-8-5-3-2-4-6-8/h8H,2-7,11H2,1H3
InChIKeyGOOUTJJOJHDFDK-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.70
Rot. Bonds3

About (5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine

(5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 63315628) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is (5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID63315628
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name(5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1c(CN)nnc1SC1CCCCC1
InChIInChI=1S/C10H18N4S/c1-14-9(7-11)12-13-10(14)15-8-5-3-2-4-6-8/h8H,2-7,11H2,1H3
InChIKeyGOOUTJJOJHDFDK-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine (CID 63315628) is (5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine is Cn1c(CN)nnc1SC1CCCCC1.
What is the InChIKey of (5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is GOOUTJJOJHDFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-14-9(7-11)12-13-10(14)15-8-5-3-2-4-6-8/h8H,2-7,11H2,1H3.
What are the key properties of (5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
(5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 226.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 63315628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).