3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine

C10H11ClN4 — CID 154591399

IUPAC3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine
SMILESCC(C)c1cn(-c2ccc(Cl)nn2)cn1
InChIInChI=1S/C10H11ClN4/c1-7(2)8-5-15(6-12-8)10-4-3-9(11)13-14-10/h3-7H,1-2H3
InChIKeyWLWVNNUTIIHRKC-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.44
Rot. Bonds2

About 3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine

3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine (PubChem CID 154591399) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine
PubChem CID154591399
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine
SMILESCC(C)c1cn(-c2ccc(Cl)nn2)cn1
InChIInChI=1S/C10H11ClN4/c1-7(2)8-5-15(6-12-8)10-4-3-9(11)13-14-10/h3-7H,1-2H3
InChIKeyWLWVNNUTIIHRKC-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine (CID 154591399) is 3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine is CC(C)c1cn(-c2ccc(Cl)nn2)cn1.
What is the InChIKey of 3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine?
The InChIKey is WLWVNNUTIIHRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7(2)8-5-15(6-12-8)10-4-3-9(11)13-14-10/h3-7H,1-2H3.
What are the key properties of 3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine?
3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine has a molecular weight of 222.68 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-propan-2-ylimidazol-1-yl)pyridazine is sourced from PubChem (CID 154591399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).