2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione

C11H14N6OS — CID 71593430

IUPAC2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione
SMILESCn1nc(-c2cnccn2)n(N2CCOCC2)c1=S
InChIInChI=1S/C11H14N6OS/c1-15-11(19)17(16-4-6-18-7-5-16)10(14-15)9-8-12-2-3-13-9/h2-3,8H,4-7H2,1H3
InChIKeyMUBBUVFUVIUZMY-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.38
Rot. Bonds2

About 2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione

2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione (PubChem CID 71593430) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione
PubChem CID71593430
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione
SMILESCn1nc(-c2cnccn2)n(N2CCOCC2)c1=S
InChIInChI=1S/C11H14N6OS/c1-15-11(19)17(16-4-6-18-7-5-16)10(14-15)9-8-12-2-3-13-9/h2-3,8H,4-7H2,1H3
InChIKeyMUBBUVFUVIUZMY-UHFFFAOYSA-N
XLogP0.38
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione?
The IUPAC name of 2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione (CID 71593430) is 2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione.
What is the SMILES notation for 2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione?
The canonical SMILES for 2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione is Cn1nc(-c2cnccn2)n(N2CCOCC2)c1=S.
What is the InChIKey of 2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione?
The InChIKey is MUBBUVFUVIUZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-15-11(19)17(16-4-6-18-7-5-16)10(14-15)9-8-12-2-3-13-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione?
2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione has a molecular weight of 278.34 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-yl-5-pyrazin-2-yl-1,2,4-triazole-3-thione is sourced from PubChem (CID 71593430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).