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

C18H17N5O2 — CID 46200399

IUPAC6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(OC)c2nnc3c(C)nc(-c4ccncc4C)n3c2c1
InChIInChI=1S/C18H17N5O2/c1-10-9-19-6-5-13(10)18-20-11(2)17-22-21-16-14(23(17)18)7-12(24-3)8-15(16)25-4/h5-9H,1-4H3
InChIKeyCYGLUSHREFGBMF-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.97
Rot. Bonds3

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

6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 46200399) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
PubChem CID46200399
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(OC)c2nnc3c(C)nc(-c4ccncc4C)n3c2c1
InChIInChI=1S/C18H17N5O2/c1-10-9-19-6-5-13(10)18-20-11(2)17-22-21-16-14(23(17)18)7-12(24-3)8-15(16)25-4/h5-9H,1-4H3
InChIKeyCYGLUSHREFGBMF-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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Related Compounds

1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 68599250
1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 59321333
1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 59321269
8-fluoro-6-methoxy-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630190
1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 59321285
6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 59321314
7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46199931
6,8-dimethoxy-2-methylquinoline
CID 14936500
2-methoxy-5-(3-methyl-4-pyridinyl)aniline
CID 66278830
4,6-dimethoxy-2-methyl-1-pyrimidin-2-ylbenzimidazole
CID 90354134
1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 110173676
12-methoxy-3-(4-methoxy-3-pyridinyl)-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629700

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine (CID 46200399) is 6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine is COc1cc(OC)c2nnc3c(C)nc(-c4ccncc4C)n3c2c1.
What is the InChIKey of 6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is CYGLUSHREFGBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-10-9-19-6-5-13(10)18-20-11(2)17-22-21-16-14(23(17)18)7-12(24-3)8-15(16)25-4/h5-9H,1-4H3.
What are the key properties of 6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine?
6,8-dimethoxy-3-methyl-1-(3-methyl-4-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-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 46200399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).