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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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).