3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one

C22H17N5O — CID 7476241

IUPAC3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
SMILESCc1cccc(-n2nnc3c(=O)n(Cc4cccc5ccccc45)cnc32)c1
InChIInChI=1S/C22H17N5O/c1-15-6-4-10-18(12-15)27-21-20(24-25-27)22(28)26(14-23-21)13-17-9-5-8-16-7-2-3-11-19(16)17/h2-12,14H,13H2,1H3
InChIKeyWIJCSMICZLXDMJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.49
Rot. Bonds3

About 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one

3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one (PubChem CID 7476241) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
PubChem CID7476241
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
SMILESCc1cccc(-n2nnc3c(=O)n(Cc4cccc5ccccc45)cnc32)c1
InChIInChI=1S/C22H17N5O/c1-15-6-4-10-18(12-15)27-21-20(24-25-27)22(28)26(14-23-21)13-17-9-5-8-16-7-2-3-11-19(16)17/h2-12,14H,13H2,1H3
InChIKeyWIJCSMICZLXDMJ-UHFFFAOYSA-N
XLogP3.49
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-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

3-(3-chlorophenyl)-6-[(2-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869662
3-(3-chlorophenyl)-6-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869665
6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
CID 3245836
6-[(2-chlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 7159317
1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160449
3-(4-fluorophenyl)-6-[(3-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869627
6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 51106016
6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 7159336
3-(4-fluorophenyl)-6-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one
CID 50786879
3-(3,4-dimethylphenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162124
6-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one
CID 7475995
2-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 7476213

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one (CID 7476241) is 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one is Cc1cccc(-n2nnc3c(=O)n(Cc4cccc5ccccc45)cnc32)c1.
What is the InChIKey of 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is WIJCSMICZLXDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-15-6-4-10-18(12-15)27-21-20(24-25-27)22(28)26(14-23-21)13-17-9-5-8-16-7-2-3-11-19(16)17/h2-12,14H,13H2,1H3.
What are the key properties of 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 367.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 7476241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).