3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine

C14H16N6 — CID 15242677

IUPAC3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(-n3nc(C)cc3C)nn2)n1
InChIInChI=1S/C14H16N6/c1-9-7-11(3)19(17-9)13-5-6-14(16-15-13)20-12(4)8-10(2)18-20/h5-8H,1-4H3
InChIKeyOIPUBPKTMMEBKE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.08
Rot. Bonds2

About 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine

3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine (PubChem CID 15242677) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine
PubChem CID15242677
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(-n3nc(C)cc3C)nn2)n1
InChIInChI=1S/C14H16N6/c1-9-7-11(3)19(17-9)13-5-6-14(16-15-13)20-12(4)8-10(2)18-20/h5-8H,1-4H3
InChIKeyOIPUBPKTMMEBKE-UHFFFAOYSA-N
XLogP2.08
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine?
The IUPAC name of 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine (CID 15242677) is 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine is Cc1cc(C)n(-c2ccc(-n3nc(C)cc3C)nn2)n1.
What is the InChIKey of 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine?
The InChIKey is OIPUBPKTMMEBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9-7-11(3)19(17-9)13-5-6-14(16-15-13)20-12(4)8-10(2)18-20/h5-8H,1-4H3.
What are the key properties of 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine?
3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine has a molecular weight of 268.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,5-dimethylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 15242677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).