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

C17H14FN5O — CID 68598825

IUPAC8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)cc2c1nnc1c(C)nc(-c3ccncc3C)n12
InChIInChI=1S/C17H14FN5O/c1-9-8-19-5-4-12(9)17-20-10(2)16-22-21-15-13(23(16)17)6-11(18)7-14(15)24-3/h4-8H,1-3H3
InChIKeyPAYPSDXOGYZAOZ-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.10
Rot. Bonds2

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

8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 68598825) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
PubChem CID68598825
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)cc2c1nnc1c(C)nc(-c3ccncc3C)n12
InChIInChI=1S/C17H14FN5O/c1-9-8-19-5-4-12(9)17-20-10(2)16-22-21-15-13(23(16)17)6-11(18)7-14(15)24-3/h4-8H,1-3H3
InChIKeyPAYPSDXOGYZAOZ-UHFFFAOYSA-N
XLogP3.10
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine (CID 68598825) is 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine is COc1cc(F)cc2c1nnc1c(C)nc(-c3ccncc3C)n12.
What is the InChIKey of 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is PAYPSDXOGYZAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-9-8-19-5-4-12(9)17-20-10(2)16-22-21-15-13(23(16)17)6-11(18)7-14(15)24-3/h4-8H,1-3H3.
What are the key properties of 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 323.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 68598825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).