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

C18H15F2N5O2 — CID 59321310

IUPAC8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(OC(F)F)cc2c1nnc1c(C)nc(-c3ccncc3C)n12
InChIInChI=1S/C18H15F2N5O2/c1-9-8-21-5-4-12(9)17-22-10(2)16-24-23-15-13(25(16)17)6-11(27-18(19)20)7-14(15)26-3/h4-8,18H,1-3H3
InChIKeyQBLWGJRSTWQUGT-UHFFFAOYSA-N
MW371.35 g/mol
LogP3.57
Rot. Bonds4

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

8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 59321310) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
PubChem CID59321310
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(OC(F)F)cc2c1nnc1c(C)nc(-c3ccncc3C)n12
InChIInChI=1S/C18H15F2N5O2/c1-9-8-21-5-4-12(9)17-22-10(2)16-24-23-15-13(25(16)17)6-11(27-18(19)20)7-14(15)26-3/h4-8,18H,1-3H3
InChIKeyQBLWGJRSTWQUGT-UHFFFAOYSA-N
XLogP3.57
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine (CID 59321310) is 8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine is COc1cc(OC(F)F)cc2c1nnc1c(C)nc(-c3ccncc3C)n12.
What is the InChIKey of 8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is QBLWGJRSTWQUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c1-9-8-21-5-4-12(9)17-22-10(2)16-24-23-15-13(25(16)17)6-11(27-18(19)20)7-14(15)26-3/h4-8,18H,1-3H3.
What are the key properties of 8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 371.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethoxy)-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 59321310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).