1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine

C13H14N4O2S — CID 71859105

IUPAC1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCN1CCN(S(=O)(=O)c2cccnc2)c2cnccc21
InChIInChI=1S/C13H14N4O2S/c1-16-7-8-17(13-10-15-6-4-12(13)16)20(18,19)11-3-2-5-14-9-11/h2-6,9-10H,7-8H2,1H3
InChIKeyMJJKFUJRGHSHOJ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.12
Rot. Bonds2

About 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine

1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine (PubChem CID 71859105) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine
PubChem CID71859105
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCN1CCN(S(=O)(=O)c2cccnc2)c2cnccc21
InChIInChI=1S/C13H14N4O2S/c1-16-7-8-17(13-10-15-6-4-12(13)16)20(18,19)11-3-2-5-14-9-11/h2-6,9-10H,7-8H2,1H3
InChIKeyMJJKFUJRGHSHOJ-UHFFFAOYSA-N
XLogP1.12
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine 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 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine?
The IUPAC name of 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine (CID 71859105) is 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine?
The canonical SMILES for 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine is CN1CCN(S(=O)(=O)c2cccnc2)c2cnccc21.
What is the InChIKey of 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine?
The InChIKey is MJJKFUJRGHSHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-16-7-8-17(13-10-15-6-4-12(13)16)20(18,19)11-3-2-5-14-9-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine?
1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine has a molecular weight of 290.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyridin-3-ylsulfonyl-2,3-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 71859105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).