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

C5H7ClN2 — CID 53434684

IUPAC6-chloro-3-methyl-1,6-dihydropyridazine
SMILESCC1=NNC(Cl)C=C1
InChIInChI=1S/C5H7ClN2/c1-4-2-3-5(6)8-7-4/h2-3,5,8H,1H3
InChIKeyMUYQAHYVJBHJOC-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.09
Rot. Bonds

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

6-chloro-3-methyl-1,6-dihydropyridazine (PubChem CID 53434684) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 6-chloro-3-methyl-1,6-dihydropyridazine.

Molecular Properties

Compound Name6-chloro-3-methyl-1,6-dihydropyridazine
PubChem CID53434684
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name6-chloro-3-methyl-1,6-dihydropyridazine
SMILESCC1=NNC(Cl)C=C1
InChIInChI=1S/C5H7ClN2/c1-4-2-3-5(6)8-7-4/h2-3,5,8H,1H3
InChIKeyMUYQAHYVJBHJOC-UHFFFAOYSA-N
XLogP1.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1,6-dihydropyridazine?
The IUPAC name of 6-chloro-3-methyl-1,6-dihydropyridazine (CID 53434684) is 6-chloro-3-methyl-1,6-dihydropyridazine.
What is the SMILES notation for 6-chloro-3-methyl-1,6-dihydropyridazine?
The canonical SMILES for 6-chloro-3-methyl-1,6-dihydropyridazine is CC1=NNC(Cl)C=C1.
What is the InChIKey of 6-chloro-3-methyl-1,6-dihydropyridazine?
The InChIKey is MUYQAHYVJBHJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-4-2-3-5(6)8-7-4/h2-3,5,8H,1H3.
What are the key properties of 6-chloro-3-methyl-1,6-dihydropyridazine?
6-chloro-3-methyl-1,6-dihydropyridazine has a molecular weight of 130.58 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1,6-dihydropyridazine is sourced from PubChem (CID 53434684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).