(3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine

C6H12N2 — CID 134887355

IUPAC(3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine
SMILESC[C@@H]1C=C[C@H](C)NN1
InChIInChI=1S/C6H12N2/c1-5-3-4-6(2)8-7-5/h3-8H,1-2H3/t5-,6+
InChIKeyIKJZVITXXYCFKB-OLQVQODUSA-N
MW112.18 g/mol
LogP0.43
Rot. Bonds

About (3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine

(3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine (PubChem CID 134887355) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine.

Molecular Properties

Compound Name(3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine
PubChem CID134887355
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine
SMILESC[C@@H]1C=C[C@H](C)NN1
InChIInChI=1S/C6H12N2/c1-5-3-4-6(2)8-7-5/h3-8H,1-2H3/t5-,6+
InChIKeyIKJZVITXXYCFKB-OLQVQODUSA-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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Related Compounds

Pyrazole, dihydro-3,5-dimethyl-
CID 4867585
2,4-Dihydrophenylhydrazine
CID 13491234
4-Diazepine
CID 21893826
4-Diazepine hydrochloride
CID 129667338
5]Diazocine
CID 129868156
1,3-Dimethyl-1,2,3,6-tetrahydropyridazine
CID 143979789
(4-Fluorocyclohexa-2,4-dien-1-yl)hydrazine
CID 70318660
1-methyl-2-[(Z)-1,1,1-trifluoropent-3-en-2-yl]hydrazine
CID 156452620
(2-Fluorocyclohexa-2,4-dien-1-yl)hydrazine
CID 163845779
5-fluoro-2,6-dimethyl-3,6-dihydro-1H-pyridazine
CID 176804552
4-fluoro-2,6-dimethyl-3,6-dihydro-1H-pyridazine
CID 176804567
(But-3-en-2-yl)hydrazine
CID 20337531

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine?
The IUPAC name of (3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine (CID 134887355) is (3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine.
What is the SMILES notation for (3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine?
The canonical SMILES for (3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine is C[C@@H]1C=C[C@H](C)NN1.
What is the InChIKey of (3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine?
The InChIKey is IKJZVITXXYCFKB-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-3-4-6(2)8-7-5/h3-8H,1-2H3/t5-,6+.
What are the key properties of (3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine?
(3S,6R)-3,6-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 (3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine is sourced from PubChem (CID 134887355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).