3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one

C10H6FN5O — CID 141078933

IUPAC3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-n2cncn2)n1F
InChIInChI=1S/C10H6FN5O/c11-16-9(17)7-3-1-2-4-8(7)14-10(16)15-6-12-5-13-15/h1-6H
InChIKeyQCIMECKYINOPIN-UHFFFAOYSA-N
MW231.19 g/mol
LogP0.71
Rot. Bonds1

About 3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one

3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one (PubChem CID 141078933) has the molecular formula C10H6FN5O and a molecular weight of 231.19 g/mol. Its IUPAC name is 3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one
PubChem CID141078933
Molecular FormulaC10H6FN5O
Molecular Weight231.19 g/mol
Exact Mass231.06
IUPAC Name3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-n2cncn2)n1F
InChIInChI=1S/C10H6FN5O/c11-16-9(17)7-3-1-2-4-8(7)14-10(16)15-6-12-5-13-15/h1-6H
InChIKeyQCIMECKYINOPIN-UHFFFAOYSA-N
XLogP0.71
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)quinazolin-4-one
CID 11120872
3-fluoro-4-oxoquinazoline-2-carboxylic acid
CID 174525480
3-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)quinazolin-4-one;1,2,3,4,5-pentachloro-6-nitrobenzene
CID 146356381
4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid
CID 63374242
4-(1,2,4-triazol-1-yl)quinolin-2-amine
CID 170518666
4-(1,2,4-triazol-1-yl)quinolin-3-amine
CID 103963559
2-[2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 51565387
pyrimido[6,1-b]quinazolin-10-one
CID 142486483
3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one
CID 151433841
2-(1,2,4-triazol-1-yl)chromen-4-one
CID 10878499
2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one
CID 11245968
1-(1,2,4-triazol-1-yl)phthalazine
CID 55239789

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one?
The IUPAC name of 3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one (CID 141078933) is 3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one?
The canonical SMILES for 3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one is O=c1c2ccccc2nc(-n2cncn2)n1F.
What is the InChIKey of 3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one?
The InChIKey is QCIMECKYINOPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5O/c11-16-9(17)7-3-1-2-4-8(7)14-10(16)15-6-12-5-13-15/h1-6H.
What are the key properties of 3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one?
3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one has a molecular weight of 231.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one is sourced from PubChem (CID 141078933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).