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

C13H16N6O2S — CID 656073

IUPAC2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCn1c(SCC(=O)N2CCOCC2)nnc1-c1cnccn1
InChIInChI=1S/C13H16N6O2S/c1-18-12(10-8-14-2-3-15-10)16-17-13(18)22-9-11(20)19-4-6-21-7-5-19/h2-3,8H,4-7,9H2,1H3
InChIKeyUTGFJGZMLVNLHU-UHFFFAOYSA-N
MW320.38 g/mol
LogP0.22
Rot. Bonds4

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

2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 656073) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
PubChem CID656073
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC Name2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCn1c(SCC(=O)N2CCOCC2)nnc1-c1cnccn1
InChIInChI=1S/C13H16N6O2S/c1-18-12(10-8-14-2-3-15-10)16-17-13(18)22-9-11(20)19-4-6-21-7-5-19/h2-3,8H,4-7,9H2,1H3
InChIKeyUTGFJGZMLVNLHU-UHFFFAOYSA-N
XLogP0.22
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone (CID 656073) is 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone is Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cnccn1.
What is the InChIKey of 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is UTGFJGZMLVNLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-18-12(10-8-14-2-3-15-10)16-17-13(18)22-9-11(20)19-4-6-21-7-5-19/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 320.38 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 656073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).