3-chloro-6-methyl-1,2-dihydropyridazine

C5H7ClN2 — CID 89001113

IUPAC3-chloro-6-methyl-1,2-dihydropyridazine
SMILESCC1=CC=C(Cl)NN1
InChIInChI=1S/C5H7ClN2/c1-4-2-3-5(6)8-7-4/h2-3,7-8H,1H3
InChIKeyQOODTOLTZIJITD-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.08
Rot. Bonds

About 3-chloro-6-methyl-1,2-dihydropyridazine

3-chloro-6-methyl-1,2-dihydropyridazine (PubChem CID 89001113) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 3-chloro-6-methyl-1,2-dihydropyridazine.

Molecular Properties

Compound Name3-chloro-6-methyl-1,2-dihydropyridazine
PubChem CID89001113
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name3-chloro-6-methyl-1,2-dihydropyridazine
SMILESCC1=CC=C(Cl)NN1
InChIInChI=1S/C5H7ClN2/c1-4-2-3-5(6)8-7-4/h2-3,7-8H,1H3
InChIKeyQOODTOLTZIJITD-UHFFFAOYSA-N
XLogP1.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-1,2-dihydropyridazine?
The IUPAC name of 3-chloro-6-methyl-1,2-dihydropyridazine (CID 89001113) is 3-chloro-6-methyl-1,2-dihydropyridazine.
What is the SMILES notation for 3-chloro-6-methyl-1,2-dihydropyridazine?
The canonical SMILES for 3-chloro-6-methyl-1,2-dihydropyridazine is CC1=CC=C(Cl)NN1.
What is the InChIKey of 3-chloro-6-methyl-1,2-dihydropyridazine?
The InChIKey is QOODTOLTZIJITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-4-2-3-5(6)8-7-4/h2-3,7-8H,1H3.
What are the key properties of 3-chloro-6-methyl-1,2-dihydropyridazine?
3-chloro-6-methyl-1,2-dihydropyridazine has a molecular weight of 130.58 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-1,2-dihydropyridazine is sourced from PubChem (CID 89001113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).