8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

C12H12FN3O — CID 141359441

IUPAC8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1cc(F)ccc1C1OCCn2ncnc21
InChIInChI=1S/C12H12FN3O/c1-8-6-9(13)2-3-10(8)11-12-14-7-15-16(12)4-5-17-11/h2-3,6-7,11H,4-5H2,1H3
InChIKeyOUJJKLJZMADVJP-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.85
Rot. Bonds1

About 8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (PubChem CID 141359441) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
PubChem CID141359441
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESCc1cc(F)ccc1C1OCCn2ncnc21
InChIInChI=1S/C12H12FN3O/c1-8-6-9(13)2-3-10(8)11-12-14-7-15-16(12)4-5-17-11/h2-3,6-7,11H,4-5H2,1H3
InChIKeyOUJJKLJZMADVJP-UHFFFAOYSA-N
XLogP1.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (CID 141359441) is 8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is Cc1cc(F)ccc1C1OCCn2ncnc21.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The InChIKey is OUJJKLJZMADVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-6-9(13)2-3-10(8)11-12-14-7-15-16(12)4-5-17-11/h2-3,6-7,11H,4-5H2,1H3.
What are the key properties of 8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine has a molecular weight of 233.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 141359441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).