[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

C10H19N5OS — CID 63315585

IUPAC[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1SCCN1CCOCC1
InChIInChI=1S/C10H19N5OS/c1-14-9(8-11)12-13-10(14)17-7-4-15-2-5-16-6-3-15/h2-8,11H2,1H3
InChIKeyNLDGHGINQTUJOD-UHFFFAOYSA-N
MW257.36 g/mol
LogP-0.30
Rot. Bonds5

About [4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 63315585) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is [4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID63315585
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1SCCN1CCOCC1
InChIInChI=1S/C10H19N5OS/c1-14-9(8-11)12-13-10(14)17-7-4-15-2-5-16-6-3-15/h2-8,11H2,1H3
InChIKeyNLDGHGINQTUJOD-UHFFFAOYSA-N
XLogP-0.30
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (CID 63315585) is [4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is Cn1c(CN)nnc1SCCN1CCOCC1.
What is the InChIKey of [4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is NLDGHGINQTUJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-14-9(8-11)12-13-10(14)17-7-4-15-2-5-16-6-3-15/h2-8,11H2,1H3.
What are the key properties of [4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 257.36 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63315585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).