2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one

C22H16N6O — CID 67692684

IUPAC2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C22H16N6O/c29-22-19(12-15-6-2-1-3-7-15)26-18-10-5-11-23-21(18)28(22)17-9-4-8-16(13-17)20-24-14-25-27-20/h1-11,13-14H,12H2,(H,24,25,27)
InChIKeyZRMJMQHFDHLWAB-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.16
Rot. Bonds4

About 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one

2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 67692684) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one
PubChem CID67692684
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C22H16N6O/c29-22-19(12-15-6-2-1-3-7-15)26-18-10-5-11-23-21(18)28(22)17-9-4-8-16(13-17)20-24-14-25-27-20/h1-11,13-14H,12H2,(H,24,25,27)
InChIKeyZRMJMQHFDHLWAB-UHFFFAOYSA-N
XLogP3.16
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one 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 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one (CID 67692684) is 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one is O=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZRMJMQHFDHLWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c29-22-19(12-15-6-2-1-3-7-15)26-18-10-5-11-23-21(18)28(22)17-9-4-8-16(13-17)20-24-14-25-27-20/h1-11,13-14H,12H2,(H,24,25,27).
What are the key properties of 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one?
2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 380.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 67692684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).