3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline

C14H16N4 — CID 115318590

IUPAC3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1Cc1cnccn1
InChIInChI=1S/C14H16N4/c1-11-8-17-13-4-2-3-5-14(13)18(11)10-12-9-15-6-7-16-12/h2-7,9,11,17H,8,10H2,1H3
InChIKeyYJFQONLJHSQLOB-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.30
Rot. Bonds2

About 3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline

3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 115318590) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID115318590
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1Cc1cnccn1
InChIInChI=1S/C14H16N4/c1-11-8-17-13-4-2-3-5-14(13)18(11)10-12-9-15-6-7-16-12/h2-7,9,11,17H,8,10H2,1H3
InChIKeyYJFQONLJHSQLOB-UHFFFAOYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline (CID 115318590) is 3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline is CC1CNc2ccccc2N1Cc1cnccn1.
What is the InChIKey of 3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is YJFQONLJHSQLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-11-8-17-13-4-2-3-5-14(13)18(11)10-12-9-15-6-7-16-12/h2-7,9,11,17H,8,10H2,1H3.
What are the key properties of 3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline?
3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 240.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).