4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine

C13H18N6OS — CID 1435275

IUPAC4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
SMILESCn1c(SCCN2CCOCC2)nnc1-c1cnccn1
InChIInChI=1S/C13H18N6OS/c1-18-12(11-10-14-2-3-15-11)16-17-13(18)21-9-6-19-4-7-20-8-5-19/h2-3,10H,4-9H2,1H3
InChIKeyYJAKODZFMXYFAE-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.70
Rot. Bonds5

About 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine

4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine (PubChem CID 1435275) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
PubChem CID1435275
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
SMILESCn1c(SCCN2CCOCC2)nnc1-c1cnccn1
InChIInChI=1S/C13H18N6OS/c1-18-12(11-10-14-2-3-15-11)16-17-13(18)21-9-6-19-4-7-20-8-5-19/h2-3,10H,4-9H2,1H3
InChIKeyYJAKODZFMXYFAE-UHFFFAOYSA-N
XLogP0.70
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine 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 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine (CID 1435275) is 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine is Cn1c(SCCN2CCOCC2)nnc1-c1cnccn1.
What is the InChIKey of 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The InChIKey is YJAKODZFMXYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-18-12(11-10-14-2-3-15-11)16-17-13(18)21-9-6-19-4-7-20-8-5-19/h2-3,10H,4-9H2,1H3.
What are the key properties of 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine has a molecular weight of 306.39 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine is sourced from PubChem (CID 1435275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).