4,6,6-trimethyl-1H-pyridazine

C7H12N2 — CID 66641412

IUPAC4,6,6-trimethyl-1H-pyridazine
SMILESCC1=CC(C)(C)NN=C1
InChIInChI=1S/C7H12N2/c1-6-4-7(2,3)9-8-5-6/h4-5,9H,1-3H3
InChIKeyOLMLPKTZBJNSDN-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds

About 4,6,6-trimethyl-1H-pyridazine

4,6,6-trimethyl-1H-pyridazine (PubChem CID 66641412) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4,6,6-trimethyl-1H-pyridazine.

Molecular Properties

Compound Name4,6,6-trimethyl-1H-pyridazine
PubChem CID66641412
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4,6,6-trimethyl-1H-pyridazine
SMILESCC1=CC(C)(C)NN=C1
InChIInChI=1S/C7H12N2/c1-6-4-7(2,3)9-8-5-6/h4-5,9H,1-3H3
InChIKeyOLMLPKTZBJNSDN-UHFFFAOYSA-N
XLogP1.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyl-1H-pyridazine?
The IUPAC name of 4,6,6-trimethyl-1H-pyridazine (CID 66641412) is 4,6,6-trimethyl-1H-pyridazine.
What is the SMILES notation for 4,6,6-trimethyl-1H-pyridazine?
The canonical SMILES for 4,6,6-trimethyl-1H-pyridazine is CC1=CC(C)(C)NN=C1.
What is the InChIKey of 4,6,6-trimethyl-1H-pyridazine?
The InChIKey is OLMLPKTZBJNSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-4-7(2,3)9-8-5-6/h4-5,9H,1-3H3.
What are the key properties of 4,6,6-trimethyl-1H-pyridazine?
4,6,6-trimethyl-1H-pyridazine has a molecular weight of 124.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-1H-pyridazine is sourced from PubChem (CID 66641412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).