4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine

C16H16N6O2S — CID 166384454

IUPAC4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine
SMILESCN1CCN(S(=O)(=O)c2ccc(-n3ccnn3)cc2)c2cccnc21
InChIInChI=1S/C16H16N6O2S/c1-20-11-12-22(15-3-2-8-17-16(15)20)25(23,24)14-6-4-13(5-7-14)21-10-9-18-19-21/h2-10H,11-12H2,1H3
InChIKeyJRJOYJNFRGBXJT-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.31
Rot. Bonds3

About 4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine

4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine (PubChem CID 166384454) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine
PubChem CID166384454
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine
SMILESCN1CCN(S(=O)(=O)c2ccc(-n3ccnn3)cc2)c2cccnc21
InChIInChI=1S/C16H16N6O2S/c1-20-11-12-22(15-3-2-8-17-16(15)20)25(23,24)14-6-4-13(5-7-14)21-10-9-18-19-21/h2-10H,11-12H2,1H3
InChIKeyJRJOYJNFRGBXJT-UHFFFAOYSA-N
XLogP1.31
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine?
The IUPAC name of 4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine (CID 166384454) is 4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine.
What is the SMILES notation for 4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine?
The canonical SMILES for 4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine is CN1CCN(S(=O)(=O)c2ccc(-n3ccnn3)cc2)c2cccnc21.
What is the InChIKey of 4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine?
The InChIKey is JRJOYJNFRGBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-20-11-12-22(15-3-2-8-17-16(15)20)25(23,24)14-6-4-13(5-7-14)21-10-9-18-19-21/h2-10H,11-12H2,1H3.
What are the key properties of 4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine?
4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine has a molecular weight of 356.41 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine is sourced from PubChem (CID 166384454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).