2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide

C19H15FN6O2 — CID 7111103

IUPAC2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
SMILESO=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)Nc1ccccc1
InChIInChI=1S/C19H15FN6O2/c20-14-8-6-13(7-9-14)10-26-18-17(23-24-26)19(28)25(12-21-18)11-16(27)22-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,22,27)
InChIKeyXNHZKUWAPZCVRR-UHFFFAOYSA-N
MW378.37 g/mol
LogP1.81
Rot. Bonds5

About 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide

2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide (PubChem CID 7111103) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
PubChem CID7111103
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
SMILESO=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)Nc1ccccc1
InChIInChI=1S/C19H15FN6O2/c20-14-8-6-13(7-9-14)10-26-18-17(23-24-26)19(28)25(12-21-18)11-16(27)22-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,22,27)
InChIKeyXNHZKUWAPZCVRR-UHFFFAOYSA-N
XLogP1.81
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide 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-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
CID 135447439
3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
CID 135412542
Asn06917370
CID 135439060
5-amino-N-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
CID 3340803
3-(3,5-Dimethylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one
CID 7200053
2-[3-(4-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869586
5-Amino-N,1-dibenzyl-1H-1,2,3-triazole-4-carboxamide
CID 562160
3-benzyl-6-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 672604
1-benzyl-N-methyl-5-[(trifluoroacetyl)amino]-1H-1,2,3-triazole-4-carboxamide
CID 713871
5-Amino-N-(2-ethylphenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 2134777
ethyl 2-(3-(4-fluorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetate
CID 2814605
5-amino-N-(2,3-dimethylphenyl)-1-(4-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 3239749

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide (CID 7111103) is 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide is O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)Nc1ccccc1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide?
The InChIKey is XNHZKUWAPZCVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c20-14-8-6-13(7-9-14)10-26-18-17(23-24-26)19(28)25(12-21-18)11-16(27)22-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,22,27).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide?
2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide has a molecular weight of 378.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide is sourced from PubChem (CID 7111103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).