6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine

C17H14FN5O2 — CID 46198694

IUPAC6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cncc(-c2nc(C)c3nnc4c(F)cc(OC)cc4n23)c1
InChIInChI=1S/C17H14FN5O2/c1-9-16-22-21-15-13(18)5-11(24-2)6-14(15)23(16)17(20-9)10-4-12(25-3)8-19-7-10/h4-8H,1-3H3
InChIKeyBIAGKVLTBOXOIO-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.80
Rot. Bonds3

About 6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine

6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 46198694) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID46198694
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cncc(-c2nc(C)c3nnc4c(F)cc(OC)cc4n23)c1
InChIInChI=1S/C17H14FN5O2/c1-9-16-22-21-15-13(18)5-11(24-2)6-14(15)23(16)17(20-9)10-4-12(25-3)8-19-7-10/h4-8H,1-3H3
InChIKeyBIAGKVLTBOXOIO-UHFFFAOYSA-N
XLogP2.80
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 46198694) is 6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine is COc1cncc(-c2nc(C)c3nnc4c(F)cc(OC)cc4n23)c1.
What is the InChIKey of 6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is BIAGKVLTBOXOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-9-16-22-21-15-13(18)5-11(24-2)6-14(15)23(16)17(20-9)10-4-12(25-3)8-19-7-10/h4-8H,1-3H3.
What are the key properties of 6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 339.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 46198694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).