3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C18H16N6O — CID 72735142

IUPAC3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(Cn2cc(Cn3cnc4ncccc4c3=O)nn2)cc1
InChIInChI=1S/C18H16N6O/c1-13-4-6-14(7-5-13)9-24-11-15(21-22-24)10-23-12-20-17-16(18(23)25)3-2-8-19-17/h2-8,11-12H,9-10H2,1H3
InChIKeyPEFGROWVKMOLFO-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.79
Rot. Bonds4

About 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 72735142) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID72735142
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(Cn2cc(Cn3cnc4ncccc4c3=O)nn2)cc1
InChIInChI=1S/C18H16N6O/c1-13-4-6-14(7-5-13)9-24-11-15(21-22-24)10-23-12-20-17-16(18(23)25)3-2-8-19-17/h2-8,11-12H,9-10H2,1H3
InChIKeyPEFGROWVKMOLFO-UHFFFAOYSA-N
XLogP1.79
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 154754059
3-[(1-benzyltriazol-4-yl)methyl]-6-(4-chlorophenyl)quinazolin-4-one
CID 72735684
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one
CID 155547405
3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123427419
3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 39754045
3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 84592320
6-(4-acetylpiperazin-1-yl)-3-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]quinazolin-4-one
CID 172635975
3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
CID 39794219

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 72735142) is 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is Cc1ccc(Cn2cc(Cn3cnc4ncccc4c3=O)nn2)cc1.
What is the InChIKey of 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is PEFGROWVKMOLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-13-4-6-14(7-5-13)9-24-11-15(21-22-24)10-23-12-20-17-16(18(23)25)3-2-8-19-17/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 332.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 72735142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).