5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine

C9H6F3N3O — CID 10331383

IUPAC5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine
SMILESCOc1cccc2nnc(C(F)(F)F)nc12
InChIInChI=1S/C9H6F3N3O/c1-16-6-4-2-3-5-7(6)13-8(15-14-5)9(10,11)12/h2-4H,1H3
InChIKeyGNUHCGPTXKNDCO-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.05
Rot. Bonds1

About 5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine

5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine (PubChem CID 10331383) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine.

Molecular Properties

Compound Name5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine
PubChem CID10331383
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine
SMILESCOc1cccc2nnc(C(F)(F)F)nc12
InChIInChI=1S/C9H6F3N3O/c1-16-6-4-2-3-5-7(6)13-8(15-14-5)9(10,11)12/h2-4H,1H3
InChIKeyGNUHCGPTXKNDCO-UHFFFAOYSA-N
XLogP2.05
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 34176280
4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
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4-chloro-5-methoxy-2-(trifluoromethyl)quinoline
CID 621514
2-bromo-8-methoxyquinoxaline
CID 133063850
acetic acid;1-methoxyphenazine
CID 174937212
2-fluoro-8-methoxyquinoline
CID 54155138
3,4-dimethoxy-2-(trifluoromethyl)quinoline
CID 69305906
4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
CID 130247540
2-ethyl-8-methoxy-4-(trifluoromethyl)quinoline
CID 167216577
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine
CID 158220033
(2E,3E)-2-ethylidene-5-methoxy-3-propylidenequinoxaline
CID 145233538

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine?
The IUPAC name of 5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine (CID 10331383) is 5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine.
What is the SMILES notation for 5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine?
The canonical SMILES for 5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine is COc1cccc2nnc(C(F)(F)F)nc12.
What is the InChIKey of 5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine?
The InChIKey is GNUHCGPTXKNDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c1-16-6-4-2-3-5-7(6)13-8(15-14-5)9(10,11)12/h2-4H,1H3.
What are the key properties of 5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine?
5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine has a molecular weight of 229.16 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(trifluoromethyl)-1,2,4-benzotriazine is sourced from PubChem (CID 10331383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).