5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H10N4O — CID 15868851

IUPAC5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cc2ccccc2)nc2nc[nH]n12
InChIInChI=1S/C12H10N4O/c17-11-7-10(6-9-4-2-1-3-5-9)15-12-13-8-14-16(11)12/h1-5,7-8H,6H2,(H,13,14,15)
InChIKeyNOZJMXJPBGWMJW-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.01
Rot. Bonds2

About 5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 15868851) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID15868851
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cc2ccccc2)nc2nc[nH]n12
InChIInChI=1S/C12H10N4O/c17-11-7-10(6-9-4-2-1-3-5-9)15-12-13-8-14-16(11)12/h1-5,7-8H,6H2,(H,13,14,15)
InChIKeyNOZJMXJPBGWMJW-UHFFFAOYSA-N
XLogP1.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 15868851) is 5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(Cc2ccccc2)nc2nc[nH]n12.
What is the InChIKey of 5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NOZJMXJPBGWMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c17-11-7-10(6-9-4-2-1-3-5-9)15-12-13-8-14-16(11)12/h1-5,7-8H,6H2,(H,13,14,15).
What are the key properties of 5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 226.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 15868851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).