6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one

C17H11Cl2N5O — CID 7159336

IUPAC6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2nnn(-c3ccccc3)c2ncn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2N5O/c18-12-7-6-11(14(19)8-12)9-23-10-20-16-15(17(23)25)21-22-24(16)13-4-2-1-3-5-13/h1-8,10H,9H2
InChIKeyZFAIGOXFULWYIX-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.33
Rot. Bonds3

About 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one

6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one (PubChem CID 7159336) has the molecular formula C17H11Cl2N5O and a molecular weight of 372.22 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
PubChem CID7159336
Molecular FormulaC17H11Cl2N5O
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2nnn(-c3ccccc3)c2ncn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2N5O/c18-12-7-6-11(14(19)8-12)9-23-10-20-16-15(17(23)25)21-22-24(16)13-4-2-1-3-5-13/h1-8,10H,9H2
InChIKeyZFAIGOXFULWYIX-UHFFFAOYSA-N
XLogP3.33
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[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-benzyl-6-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 672604
3-(3-chlorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 3242190
2-(7-keto-3-phenyl-triazolo[4,5-d]pyrimidin-6-yl)-N-phenethyl-acetamide
CID 5310342
3-(4-chlorobenzyl)-6-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
CID 5310367
6-(3-methylbenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
CID 5310510
3-(4-Chlorophenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one
CID 7200015
3-{3-[(2-Chlorophenyl)methyl]-7-hydroxy-[1,2,3]triazolo[4,5-D]pyrimidin-5-YL}-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 135459311
3-benzyl-5-methyl-6-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 719199
5-amino-N-(2-chlorobenzyl)-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 4547122
3-(3-Chloro-4-methylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one
CID 7200063
3-(4-chlorobenzyl)-6-(3-methylbenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 3239509
3-(4-chlorobenzyl)-6-(4-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 3238747

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one (CID 7159336) is 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one is O=c1c2nnn(-c3ccccc3)c2ncn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The InChIKey is ZFAIGOXFULWYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O/c18-12-7-6-11(14(19)8-12)9-23-10-20-16-15(17(23)25)21-22-24(16)13-4-2-1-3-5-13/h1-8,10H,9H2.
What are the key properties of 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one has a molecular weight of 372.22 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 7159336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).