2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C15H13FN4O — CID 135767481

IUPAC2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2c(c3nc(-c4ccccc4F)nn13)CCCC2
InChIInChI=1S/C15H13FN4O/c16-11-7-3-1-5-9(11)13-18-14-10-6-2-4-8-12(10)17-15(21)20(14)19-13/h1,3,5,7H,2,4,6,8H2,(H,17,21)
InChIKeyUXBKNOCINPELAC-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.10
Rot. Bonds1

About 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135767481) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135767481
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2c(c3nc(-c4ccccc4F)nn13)CCCC2
InChIInChI=1S/C15H13FN4O/c16-11-7-3-1-5-9(11)13-18-14-10-6-2-4-8-12(10)17-15(21)20(14)19-13/h1,3,5,7H,2,4,6,8H2,(H,17,21)
InChIKeyUXBKNOCINPELAC-UHFFFAOYSA-N
XLogP2.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one with MolForge

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Related Compounds

4-(2-fluorophenyl)-11,12-dimethyl-11-thionia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,9-tetraen-7-one
CID 172787020
4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one
CID 15020583
2-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole
CID 15229562
10-(2-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 82274102
2-(2-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82565273
1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 71823752
2-(2-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 83964861
2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565554
2,2-dioxo-2λ6-thia-1,10,19-triazatetracyclo[9.8.0.03,8.012,18]nonadeca-3,5,7,11,18-pentaen-9-one
CID 135713156
2-(2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566561
2-(4-ethylphenyl)-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazolin-5-one
CID 19367591
6-(cyclopentanecarbonyl)-2-(2-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622522

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135767481) is 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2c(c3nc(-c4ccccc4F)nn13)CCCC2.
What is the InChIKey of 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is UXBKNOCINPELAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-11-7-3-1-5-9(11)13-18-14-10-6-2-4-8-12(10)17-15(21)20(14)19-13/h1,3,5,7H,2,4,6,8H2,(H,17,21).
What are the key properties of 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 284.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-7,8,9,10-tetrahydro-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135767481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).