3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine

C12H16N4 — CID 10262767

IUPAC3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine
SMILESCCCCc1ncc(-c2ccc(C)nn2)[nH]1
InChIInChI=1S/C12H16N4/c1-3-4-5-12-13-8-11(14-12)10-7-6-9(2)15-16-10/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyZGZGLBFXUKRQGH-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.52
Rot. Bonds4

About 3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine

3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine (PubChem CID 10262767) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine
PubChem CID10262767
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine
SMILESCCCCc1ncc(-c2ccc(C)nn2)[nH]1
InChIInChI=1S/C12H16N4/c1-3-4-5-12-13-8-11(14-12)10-7-6-9(2)15-16-10/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyZGZGLBFXUKRQGH-UHFFFAOYSA-N
XLogP2.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine?
The IUPAC name of 3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine (CID 10262767) is 3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine.
What is the SMILES notation for 3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine?
The canonical SMILES for 3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine is CCCCc1ncc(-c2ccc(C)nn2)[nH]1.
What is the InChIKey of 3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine?
The InChIKey is ZGZGLBFXUKRQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-4-5-12-13-8-11(14-12)10-7-6-9(2)15-16-10/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine?
3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine has a molecular weight of 216.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine is sourced from PubChem (CID 10262767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).