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

C18H17N5O2 — CID 46200233

IUPAC6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(OC)c2nnc3c(C)nc(-c4cccnc4C)n3c2c1
InChIInChI=1S/C18H17N5O2/c1-10-13(6-5-7-19-10)18-20-11(2)17-22-21-16-14(23(17)18)8-12(24-3)9-15(16)25-4/h5-9H,1-4H3
InChIKeyBWVJYTGTOWKCOX-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.97
Rot. Bonds3

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

6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 46200233) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
PubChem CID46200233
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(OC)c2nnc3c(C)nc(-c4cccnc4C)n3c2c1
InChIInChI=1S/C18H17N5O2/c1-10-13(6-5-7-19-10)18-20-11(2)17-22-21-16-14(23(17)18)8-12(24-3)9-15(16)25-4/h5-9H,1-4H3
InChIKeyBWVJYTGTOWKCOX-UHFFFAOYSA-N
XLogP2.97
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine (CID 46200233) is 6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine is COc1cc(OC)c2nnc3c(C)nc(-c4cccnc4C)n3c2c1.
What is the InChIKey of 6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is BWVJYTGTOWKCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-10-13(6-5-7-19-10)18-20-11(2)17-22-21-16-14(23(17)18)8-12(24-3)9-15(16)25-4/h5-9H,1-4H3.
What are the key properties of 6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 335.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 46200233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).