3-methyl-1,6-dihydropyridazine

C5H8N2 — CID 22915395

IUPAC3-methyl-1,6-dihydropyridazine
SMILESCC1=NNCC=C1
InChIInChI=1S/C5H8N2/c1-5-3-2-4-6-7-5/h2-3,6H,4H2,1H3
InChIKeyZHJCNBQKAFJLOR-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.52
Rot. Bonds

About 3-methyl-1,6-dihydropyridazine

3-methyl-1,6-dihydropyridazine (PubChem CID 22915395) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-methyl-1,6-dihydropyridazine.

Molecular Properties

Compound Name3-methyl-1,6-dihydropyridazine
PubChem CID22915395
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3-methyl-1,6-dihydropyridazine
SMILESCC1=NNCC=C1
InChIInChI=1S/C5H8N2/c1-5-3-2-4-6-7-5/h2-3,6H,4H2,1H3
InChIKeyZHJCNBQKAFJLOR-UHFFFAOYSA-N
XLogP0.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,6-dihydropyridazine?
The IUPAC name of 3-methyl-1,6-dihydropyridazine (CID 22915395) is 3-methyl-1,6-dihydropyridazine.
What is the SMILES notation for 3-methyl-1,6-dihydropyridazine?
The canonical SMILES for 3-methyl-1,6-dihydropyridazine is CC1=NNCC=C1.
What is the InChIKey of 3-methyl-1,6-dihydropyridazine?
The InChIKey is ZHJCNBQKAFJLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5-3-2-4-6-7-5/h2-3,6H,4H2,1H3.
What are the key properties of 3-methyl-1,6-dihydropyridazine?
3-methyl-1,6-dihydropyridazine has a molecular weight of 96.13 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,6-dihydropyridazine is sourced from PubChem (CID 22915395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).