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

C24H21N5O2 — CID 59321315

IUPAC6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(OCc2ccccc2)cc2c1nnc1c(C)nc(-c3ccncc3C)n12
InChIInChI=1S/C24H21N5O2/c1-15-13-25-10-9-19(15)24-26-16(2)23-28-27-22-20(29(23)24)11-18(12-21(22)30-3)31-14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyWLMFGIKOAOYYJI-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.54
Rot. Bonds5

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

6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 59321315) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID59321315
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(OCc2ccccc2)cc2c1nnc1c(C)nc(-c3ccncc3C)n12
InChIInChI=1S/C24H21N5O2/c1-15-13-25-10-9-19(15)24-26-16(2)23-28-27-22-20(29(23)24)11-18(12-21(22)30-3)31-14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyWLMFGIKOAOYYJI-UHFFFAOYSA-N
XLogP4.54
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine (CID 59321315) is 6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine is COc1cc(OCc2ccccc2)cc2c1nnc1c(C)nc(-c3ccncc3C)n12.
What is the InChIKey of 6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is WLMFGIKOAOYYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-15-13-25-10-9-19(15)24-26-16(2)23-28-27-22-20(29(23)24)11-18(12-21(22)30-3)31-14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3.
What are the key properties of 6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine?
6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 411.47 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-phenylmethoxyimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 59321315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).