3,6-bis(4-methylimidazol-1-yl)pyridazine

C12H12N6 — CID 139030621

IUPAC3,6-bis(4-methylimidazol-1-yl)pyridazine
SMILESCc1cn(-c2ccc(-n3cnc(C)c3)nn2)cn1
InChIInChI=1S/C12H12N6/c1-9-5-17(7-13-9)11-3-4-12(16-15-11)18-6-10(2)14-8-18/h3-8H,1-2H3
InChIKeyMKFCVKWDAHKEAZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.46
Rot. Bonds2

About 3,6-bis(4-methylimidazol-1-yl)pyridazine

3,6-bis(4-methylimidazol-1-yl)pyridazine (PubChem CID 139030621) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3,6-bis(4-methylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3,6-bis(4-methylimidazol-1-yl)pyridazine
PubChem CID139030621
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name3,6-bis(4-methylimidazol-1-yl)pyridazine
SMILESCc1cn(-c2ccc(-n3cnc(C)c3)nn2)cn1
InChIInChI=1S/C12H12N6/c1-9-5-17(7-13-9)11-3-4-12(16-15-11)18-6-10(2)14-8-18/h3-8H,1-2H3
InChIKeyMKFCVKWDAHKEAZ-UHFFFAOYSA-N
XLogP1.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-methylimidazol-1-yl)pyridazine?
The IUPAC name of 3,6-bis(4-methylimidazol-1-yl)pyridazine (CID 139030621) is 3,6-bis(4-methylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3,6-bis(4-methylimidazol-1-yl)pyridazine?
The canonical SMILES for 3,6-bis(4-methylimidazol-1-yl)pyridazine is Cc1cn(-c2ccc(-n3cnc(C)c3)nn2)cn1.
What is the InChIKey of 3,6-bis(4-methylimidazol-1-yl)pyridazine?
The InChIKey is MKFCVKWDAHKEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-9-5-17(7-13-9)11-3-4-12(16-15-11)18-6-10(2)14-8-18/h3-8H,1-2H3.
What are the key properties of 3,6-bis(4-methylimidazol-1-yl)pyridazine?
3,6-bis(4-methylimidazol-1-yl)pyridazine has a molecular weight of 240.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methylimidazol-1-yl)pyridazine is sourced from PubChem (CID 139030621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).