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

C13H18N6OS — CID 1435286

IUPAC4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine
SMILESCSc1nnc(-c2cnccn2)n1CCN1CCOCC1
InChIInChI=1S/C13H18N6OS/c1-21-13-17-16-12(11-10-14-2-3-15-11)19(13)5-4-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3
InChIKeyXXJQEPCIMQBHPU-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.79
Rot. Bonds5

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

4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine (PubChem CID 1435286) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine
PubChem CID1435286
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine
SMILESCSc1nnc(-c2cnccn2)n1CCN1CCOCC1
InChIInChI=1S/C13H18N6OS/c1-21-13-17-16-12(11-10-14-2-3-15-11)19(13)5-4-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3
InChIKeyXXJQEPCIMQBHPU-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine (CID 1435286) is 4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine is CSc1nnc(-c2cnccn2)n1CCN1CCOCC1.
What is the InChIKey of 4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine?
The InChIKey is XXJQEPCIMQBHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-21-13-17-16-12(11-10-14-2-3-15-11)19(13)5-4-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3.
What are the key properties of 4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine?
4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine has a molecular weight of 306.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylsulfanyl-5-pyrazin-2-yl-1,2,4-triazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 1435286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).