2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H14N4O — CID 114514282

IUPAC2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2ccccc2)nc2nc(C3CC3)[nH]n2c1=O
InChIInChI=1S/C15H14N4O/c1-9-12(10-5-3-2-4-6-10)16-15-17-13(11-7-8-11)18-19(15)14(9)20/h2-6,11H,7-8H2,1H3,(H,16,17,18)
InChIKeyFVKADSZEQPZKFB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.27
Rot. Bonds2

About 2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114514282) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114514282
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2ccccc2)nc2nc(C3CC3)[nH]n2c1=O
InChIInChI=1S/C15H14N4O/c1-9-12(10-5-3-2-4-6-10)16-15-17-13(11-7-8-11)18-19(15)14(9)20/h2-6,11H,7-8H2,1H3,(H,16,17,18)
InChIKeyFVKADSZEQPZKFB-UHFFFAOYSA-N
XLogP2.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114514282) is 2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1c(-c2ccccc2)nc2nc(C3CC3)[nH]n2c1=O.
What is the InChIKey of 2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FVKADSZEQPZKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-12(10-5-3-2-4-6-10)16-15-17-13(11-7-8-11)18-19(15)14(9)20/h2-6,11H,7-8H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 266.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114514282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).