2,3-dimethyl-3,6-dihydro-1H-pyridazine

C6H12N2 — CID 167530640

IUPAC2,3-dimethyl-3,6-dihydro-1H-pyridazine
SMILESCC1C=CCNN1C
InChIInChI=1S/C6H12N2/c1-6-4-3-5-7-8(6)2/h3-4,6-7H,5H2,1-2H3
InChIKeySZHZRNODABHPOE-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.38
Rot. Bonds

About 2,3-dimethyl-3,6-dihydro-1H-pyridazine

2,3-dimethyl-3,6-dihydro-1H-pyridazine (PubChem CID 167530640) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2,3-dimethyl-3,6-dihydro-1H-pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-3,6-dihydro-1H-pyridazine
PubChem CID167530640
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2,3-dimethyl-3,6-dihydro-1H-pyridazine
SMILESCC1C=CCNN1C
InChIInChI=1S/C6H12N2/c1-6-4-3-5-7-8(6)2/h3-4,6-7H,5H2,1-2H3
InChIKeySZHZRNODABHPOE-UHFFFAOYSA-N
XLogP0.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1,2,3,6-tetrahydropyridazine
CID 60042011
1,3-Dimethyl-1,2,3,6-tetrahydropyridazine
CID 143979789
5-fluoro-2,6-dimethyl-3,6-dihydro-1H-pyridazine
CID 176804552
4-fluoro-2,6-dimethyl-3,6-dihydro-1H-pyridazine
CID 176804567
(3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine
CID 134887355
(3R,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine
CID 134887376
2,3-dimethyl-5,6-dihydro-1H-pyridazine
CID 138982162
N-methyl-3,6-dihydro-2H-pyridin-1-amine
CID 19376028
N-Ethyl-3,6-dihydro-1(2H)-pyridinamine
CID 19376029
N-methyl-3,6-dihydro-2H-pyridin-1-amine;hydrochloride
CID 19376038
3,6-Diethyl-1,2,3,6-tetrahydropyridazine
CID 23385901
2,3,5-Trimethyl-1,5-dihydropyrazole
CID 59073866

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3,6-dihydro-1H-pyridazine?
The IUPAC name of 2,3-dimethyl-3,6-dihydro-1H-pyridazine (CID 167530640) is 2,3-dimethyl-3,6-dihydro-1H-pyridazine.
What is the SMILES notation for 2,3-dimethyl-3,6-dihydro-1H-pyridazine?
The canonical SMILES for 2,3-dimethyl-3,6-dihydro-1H-pyridazine is CC1C=CCNN1C.
What is the InChIKey of 2,3-dimethyl-3,6-dihydro-1H-pyridazine?
The InChIKey is SZHZRNODABHPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6-4-3-5-7-8(6)2/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2,3-dimethyl-3,6-dihydro-1H-pyridazine?
2,3-dimethyl-3,6-dihydro-1H-pyridazine has a molecular weight of 112.18 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3,6-dihydro-1H-pyridazine is sourced from PubChem (CID 167530640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).