4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one

C20H19N7O2 — CID 168922607

IUPAC4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one
SMILESCn1c(-c2ccccc2)nn(-c2nc(N3CCOCC3)c3ncccc3n2)c1=O
InChIInChI=1S/C20H19N7O2/c1-25-17(14-6-3-2-4-7-14)24-27(20(25)28)19-22-15-8-5-9-21-16(15)18(23-19)26-10-12-29-13-11-26/h2-9H,10-13H2,1H3
InChIKeyHYBNJHNLDOTYHQ-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.41
Rot. Bonds3

About 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one

4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one (PubChem CID 168922607) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one
PubChem CID168922607
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one
SMILESCn1c(-c2ccccc2)nn(-c2nc(N3CCOCC3)c3ncccc3n2)c1=O
InChIInChI=1S/C20H19N7O2/c1-25-17(14-6-3-2-4-7-14)24-27(20(25)28)19-22-15-8-5-9-21-16(15)18(23-19)26-10-12-29-13-11-26/h2-9H,10-13H2,1H3
InChIKeyHYBNJHNLDOTYHQ-UHFFFAOYSA-N
XLogP1.41
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-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

Related Compounds

4-[2-(3-pyridin-2-ylpyrazol-1-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922650
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023
4-(1-phenylpyrido[3,2-f]quinazolin-3-yl)morpholine
CID 45276194
4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922588
3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one
CID 155812528
4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine
CID 168920860
4-pyrido[3,2-d]pyrimidin-2-ylmorpholine
CID 67130702
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781233
2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde
CID 118243094
4-[2-(3-bromopyrazol-1-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921204
1-[4-(4-thiomorpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)piperazin-1-yl]ethanone
CID 54005762

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one (CID 168922607) is 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one is Cn1c(-c2ccccc2)nn(-c2nc(N3CCOCC3)c3ncccc3n2)c1=O.
What is the InChIKey of 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one?
The InChIKey is HYBNJHNLDOTYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-25-17(14-6-3-2-4-7-14)24-27(20(25)28)19-22-15-8-5-9-21-16(15)18(23-19)26-10-12-29-13-11-26/h2-9H,10-13H2,1H3.
What are the key properties of 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one?
4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one has a molecular weight of 389.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 168922607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).