I0D

4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one

Created:2016-12-06
Last modified:  2017-12-20

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count40
Aromatic Bond Count6
2D diagram of I0D

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one
Systematic Name (OpenEye OEToolkits)4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one
FormulaC15 H17 Cl N4 O
Molecular Weight304.775
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1CCc2c(C1)cccc2NC3=C(Cl)C(=O)N(C)N=C3
SMILESOpenEye OEToolkits2.0.6CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1
Canonical SMILESCACTVS3.385 CN1CCc2c(C1)cccc2NC3=C(Cl)C(=O)N(C)N=C3
Canonical SMILESOpenEye OEToolkits2.0.6 CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1
InChIInChI1.03 InChI=1S/C15H17ClN4O/c1-19-7-6-11-10(9-19)4-3-5-12(11)18-13-8-17-20(2)15(21)14(13)16/h3-5,8,18H,6-7,9H2,1-2H3
InChIKeyInChI1.03 YJJYUKCKKSVTAG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4101945
PubChem 131953422
ChEMBL CHEMBL4101945