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

C17H18N6O2 — CID 7111143

IUPACN-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESO=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NC1CCCC1
InChIInChI=1S/C17H18N6O2/c24-14(19-12-6-4-5-7-12)10-22-11-18-16-15(17(22)25)20-21-23(16)13-8-2-1-3-9-13/h1-3,8-9,11-12H,4-7,10H2,(H,19,24)
InChIKeyFFYWLHUSUXEHEC-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.04
Rot. Bonds4

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

N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 7111143) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID7111143
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESO=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NC1CCCC1
InChIInChI=1S/C17H18N6O2/c24-14(19-12-6-4-5-7-12)10-22-11-18-16-15(17(22)25)20-21-23(16)13-8-2-1-3-9-13/h1-3,8-9,11-12H,4-7,10H2,(H,19,24)
InChIKeyFFYWLHUSUXEHEC-UHFFFAOYSA-N
XLogP1.04
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 7111143) is N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide is O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is FFYWLHUSUXEHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-14(19-12-6-4-5-7-12)10-22-11-18-16-15(17(22)25)20-21-23(16)13-8-2-1-3-9-13/h1-3,8-9,11-12H,4-7,10H2,(H,19,24).
What are the key properties of N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 338.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 7111143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).