7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine

C17H13FN4O — CID 46199931

IUPAC7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1ccccc1-c1nc(C)c2nnc3cc(F)ccc3n12
InChIInChI=1S/C17H13FN4O/c1-10-16-21-20-13-9-11(18)7-8-14(13)22(16)17(19-10)12-5-3-4-6-15(12)23-2/h3-9H,1-2H3
InChIKeyCVVVUXBHEXILDO-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.40
Rot. Bonds2

About 7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine

7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 46199931) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID46199931
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1ccccc1-c1nc(C)c2nnc3cc(F)ccc3n12
InChIInChI=1S/C17H13FN4O/c1-10-16-21-20-13-9-11(18)7-8-14(13)22(16)17(19-10)12-5-3-4-6-15(12)23-2/h3-9H,1-2H3
InChIKeyCVVVUXBHEXILDO-UHFFFAOYSA-N
XLogP3.40
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 46199931) is 7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine is COc1ccccc1-c1nc(C)c2nnc3cc(F)ccc3n12.
What is the InChIKey of 7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is CVVVUXBHEXILDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-10-16-21-20-13-9-11(18)7-8-14(13)22(16)17(19-10)12-5-3-4-6-15(12)23-2/h3-9H,1-2H3.
What are the key properties of 7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 308.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 46199931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).