1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine

C17H12Cl2N4O — CID 46199301

IUPAC1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1ccc2nnc3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2c1
InChIInChI=1S/C17H12Cl2N4O/c1-9-16-22-21-14-6-4-11(24-2)8-15(14)23(16)17(20-9)12-7-10(18)3-5-13(12)19/h3-8H,1-2H3
InChIKeyVSPLHWROJCSRNJ-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.57
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine

1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 46199301) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID46199301
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1ccc2nnc3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2c1
InChIInChI=1S/C17H12Cl2N4O/c1-9-16-22-21-14-6-4-11(24-2)8-15(14)23(16)17(20-9)12-7-10(18)3-5-13(12)19/h3-8H,1-2H3
InChIKeyVSPLHWROJCSRNJ-UHFFFAOYSA-N
XLogP4.57
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 46199301) is 1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is COc1ccc2nnc3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is VSPLHWROJCSRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c1-9-16-22-21-14-6-4-11(24-2)8-15(14)23(16)17(20-9)12-7-10(18)3-5-13(12)19/h3-8H,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 359.22 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 46199301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).