5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine

C9H9ClN4 — CID 11789025

IUPAC5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine
SMILESCc1nccn1Cc1cc(Cl)cnn1
InChIInChI=1S/C9H9ClN4/c1-7-11-2-3-14(7)6-9-4-8(10)5-12-13-9/h2-5H,6H2,1H3
InChIKeyQLLODBOKCIDPQU-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.68
Rot. Bonds2

About 5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine

5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine (PubChem CID 11789025) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine
PubChem CID11789025
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine
SMILESCc1nccn1Cc1cc(Cl)cnn1
InChIInChI=1S/C9H9ClN4/c1-7-11-2-3-14(7)6-9-4-8(10)5-12-13-9/h2-5H,6H2,1H3
InChIKeyQLLODBOKCIDPQU-UHFFFAOYSA-N
XLogP1.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
The IUPAC name of 5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine (CID 11789025) is 5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine.
What is the SMILES notation for 5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
The canonical SMILES for 5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine is Cc1nccn1Cc1cc(Cl)cnn1.
What is the InChIKey of 5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
The InChIKey is QLLODBOKCIDPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-7-11-2-3-14(7)6-9-4-8(10)5-12-13-9/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine has a molecular weight of 208.65 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine is sourced from PubChem (CID 11789025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).