5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H13FN4O — CID 134439520

IUPAC5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2ccc(F)cc2)nc2nc[nH]n2c1=O
InChIInChI=1S/C14H13FN4O/c1-8(2)11-12(9-3-5-10(15)6-4-9)18-14-16-7-17-19(14)13(11)20/h3-8H,1-2H3,(H,16,17,18)
InChIKeyGJLMELLDJLPVLP-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.35
Rot. Bonds2

About 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439520) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439520
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2ccc(F)cc2)nc2nc[nH]n2c1=O
InChIInChI=1S/C14H13FN4O/c1-8(2)11-12(9-3-5-10(15)6-4-9)18-14-16-7-17-19(14)13(11)20/h3-8H,1-2H3,(H,16,17,18)
InChIKeyGJLMELLDJLPVLP-UHFFFAOYSA-N
XLogP2.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]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

Related Compounds

5-Phenyl-s-triazolo(1,5-a)pyrimidin-7-ol
CID 202792
2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 2033843
5-Phenyltetrazolo[1,5-A]pyrimidin-7-Ol
CID 2077879
2-amino-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 681947
5-methyl-6-[(E)-3-phenyl-2-propenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1474418
6-benzyl-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1830568
2-[(2-Fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1943193
5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 2967534
6-ethyl-2-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)-4(3H)-pyrimidinone
CID 135439812
2-amino-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155520385

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439520) is 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2ccc(F)cc2)nc2nc[nH]n2c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GJLMELLDJLPVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8(2)11-12(9-3-5-10(15)6-4-9)18-14-16-7-17-19(14)13(11)20/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 272.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).