5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride

C15H14Cl2N4 — CID 22240110

IUPAC5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride
SMILESCc1nccn1Cc1cc(-c2ccccc2Cl)cnn1.Cl
InChIInChI=1S/C15H13ClN4.ClH/c1-11-17-6-7-20(11)10-13-8-12(9-18-19-13)14-4-2-3-5-15(14)16;/h2-9H,10H2,1H3;1H
InChIKeyARLFUXMSKKQICP-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.77
Rot. Bonds3

About 5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride

5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride (PubChem CID 22240110) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride
PubChem CID22240110
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride
SMILESCc1nccn1Cc1cc(-c2ccccc2Cl)cnn1.Cl
InChIInChI=1S/C15H13ClN4.ClH/c1-11-17-6-7-20(11)10-13-8-12(9-18-19-13)14-4-2-3-5-15(14)16;/h2-9H,10H2,1H3;1H
InChIKeyARLFUXMSKKQICP-UHFFFAOYSA-N
XLogP3.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride?
The IUPAC name of 5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride (CID 22240110) is 5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride?
The canonical SMILES for 5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride is Cc1nccn1Cc1cc(-c2ccccc2Cl)cnn1.Cl.
What is the InChIKey of 5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride?
The InChIKey is ARLFUXMSKKQICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4.ClH/c1-11-17-6-7-20(11)10-13-8-12(9-18-19-13)14-4-2-3-5-15(14)16;/h2-9H,10H2,1H3;1H.
What are the key properties of 5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride?
5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride has a molecular weight of 321.21 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride is sourced from PubChem (CID 22240110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).