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

C10H7N5O — CID 135403365

IUPAC2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nn(-c3ccccc3)nc12
InChIInChI=1S/C10H7N5O/c16-10-8-9(11-6-12-10)14-15(13-8)7-4-2-1-3-5-7/h1-6H,(H,11,12,14,16)
InChIKeyWDSLDFYBUSHAEM-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.50
Rot. Bonds1

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

2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 135403365) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one
PubChem CID135403365
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nn(-c3ccccc3)nc12
InChIInChI=1S/C10H7N5O/c16-10-8-9(11-6-12-10)14-15(13-8)7-4-2-1-3-5-7/h1-6H,(H,11,12,14,16)
InChIKeyWDSLDFYBUSHAEM-UHFFFAOYSA-N
XLogP0.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one (CID 135403365) is 2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one is O=c1[nH]cnc2nn(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is WDSLDFYBUSHAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c16-10-8-9(11-6-12-10)14-15(13-8)7-4-2-1-3-5-7/h1-6H,(H,11,12,14,16).
What are the key properties of 2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one?
2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 213.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135403365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).