5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one

C10H8N6O — CID 135408784

IUPAC5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESNc1nc2nn(-c3ccccc3)nc2c(=O)[nH]1
InChIInChI=1S/C10H8N6O/c11-10-12-8-7(9(17)13-10)14-16(15-8)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13,15,17)
InChIKeyOIAXNBVLMBXWJU-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.09
Rot. Bonds1

About 5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one

5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 135408784) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID135408784
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESNc1nc2nn(-c3ccccc3)nc2c(=O)[nH]1
InChIInChI=1S/C10H8N6O/c11-10-12-8-7(9(17)13-10)14-16(15-8)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13,15,17)
InChIKeyOIAXNBVLMBXWJU-UHFFFAOYSA-N
XLogP0.09
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-phenyl-6H-triazolo[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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one (CID 135408784) is 5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one is Nc1nc2nn(-c3ccccc3)nc2c(=O)[nH]1.
What is the InChIKey of 5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is OIAXNBVLMBXWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c11-10-12-8-7(9(17)13-10)14-16(15-8)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13,15,17).
What are the key properties of 5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 228.22 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135408784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).