3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine

C12H12N6 — CID 2998404

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine
SMILESCc1cc(C)n(-c2ccc(-n3ccnc3)nn2)n1
InChIInChI=1S/C12H12N6/c1-9-7-10(2)18(16-9)12-4-3-11(14-15-12)17-6-5-13-8-17/h3-8H,1-2H3
InChIKeyACNODOYOSGDNOD-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.46
Rot. Bonds2

About 3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine (PubChem CID 2998404) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine
PubChem CID2998404
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine
SMILESCc1cc(C)n(-c2ccc(-n3ccnc3)nn2)n1
InChIInChI=1S/C12H12N6/c1-9-7-10(2)18(16-9)12-4-3-11(14-15-12)17-6-5-13-8-17/h3-8H,1-2H3
InChIKeyACNODOYOSGDNOD-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-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine (CID 2998404) is 3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine is Cc1cc(C)n(-c2ccc(-n3ccnc3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine?
The InChIKey is ACNODOYOSGDNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-9-7-10(2)18(16-9)12-4-3-11(14-15-12)17-6-5-13-8-17/h3-8H,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine 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-(3,5-dimethylpyrazol-1-yl)-6-imidazol-1-ylpyridazine is sourced from PubChem (CID 2998404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).