2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide

C20H18N6O2 — CID 5310342

IUPAC2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCCc1ccccc1
InChIInChI=1S/C20H18N6O2/c27-17(21-12-11-15-7-3-1-4-8-15)13-25-14-22-19-18(20(25)28)23-24-26(19)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,21,27)
InChIKeyRNVJNCOFVFXREF-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.34
Rot. Bonds6

About 2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide

2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide (PubChem CID 5310342) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide
PubChem CID5310342
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCCc1ccccc1
InChIInChI=1S/C20H18N6O2/c27-17(21-12-11-15-7-3-1-4-8-15)13-25-14-22-19-18(20(25)28)23-24-26(19)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,21,27)
InChIKeyRNVJNCOFVFXREF-UHFFFAOYSA-N
XLogP1.34
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
5-amino-N-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
CID 3340803
3-(3,4-Dimethylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one
CID 7200044
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
5-Amino-N-(2-ethylphenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 2134777
4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine
CID 3235731
3-(4-fluorobenzyl)-6-(2-oxo-2-(piperidin-1-yl)ethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
CID 3235807
3-(4-fluorobenzyl)-6-(2-methylbenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 3236219

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide (CID 5310342) is 2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide is O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCCc1ccccc1.
What is the InChIKey of 2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is RNVJNCOFVFXREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-17(21-12-11-15-7-3-1-4-8-15)13-25-14-22-19-18(20(25)28)23-24-26(19)16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,21,27).
What are the key properties of 2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide?
2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 5310342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).