4,5-dimethyl-1,2,3,6-tetrahydropyridazine

C6H12N2 — CID 15046183

IUPAC4,5-dimethyl-1,2,3,6-tetrahydropyridazine
SMILESCC1=C(C)CNNC1
InChIInChI=1S/C6H12N2/c1-5-3-7-8-4-6(5)2/h7-8H,3-4H2,1-2H3
InChIKeyQCWUDJZMGMLREF-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.43
Rot. Bonds

About 4,5-dimethyl-1,2,3,6-tetrahydropyridazine

4,5-dimethyl-1,2,3,6-tetrahydropyridazine (PubChem CID 15046183) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4,5-dimethyl-1,2,3,6-tetrahydropyridazine.

Molecular Properties

Compound Name4,5-dimethyl-1,2,3,6-tetrahydropyridazine
PubChem CID15046183
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4,5-dimethyl-1,2,3,6-tetrahydropyridazine
SMILESCC1=C(C)CNNC1
InChIInChI=1S/C6H12N2/c1-5-3-7-8-4-6(5)2/h7-8H,3-4H2,1-2H3
InChIKeyQCWUDJZMGMLREF-UHFFFAOYSA-N
XLogP0.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,2,3,6-tetrahydropyridazine?
The IUPAC name of 4,5-dimethyl-1,2,3,6-tetrahydropyridazine (CID 15046183) is 4,5-dimethyl-1,2,3,6-tetrahydropyridazine.
What is the SMILES notation for 4,5-dimethyl-1,2,3,6-tetrahydropyridazine?
The canonical SMILES for 4,5-dimethyl-1,2,3,6-tetrahydropyridazine is CC1=C(C)CNNC1.
What is the InChIKey of 4,5-dimethyl-1,2,3,6-tetrahydropyridazine?
The InChIKey is QCWUDJZMGMLREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-3-7-8-4-6(5)2/h7-8H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethyl-1,2,3,6-tetrahydropyridazine?
4,5-dimethyl-1,2,3,6-tetrahydropyridazine has a molecular weight of 112.18 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,2,3,6-tetrahydropyridazine is sourced from PubChem (CID 15046183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).