3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine

C8H9Cl2N3 — CID 56997027

IUPAC3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine
SMILESC=CCN(C)c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2N3/c1-3-4-13(2)6-5-7(9)11-12-8(6)10/h3,5H,1,4H2,2H3
InChIKeyTYJLSHZBWPTOIX-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.41
Rot. Bonds3

About 3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine

3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine (PubChem CID 56997027) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine
PubChem CID56997027
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC Name3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine
SMILESC=CCN(C)c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2N3/c1-3-4-13(2)6-5-7(9)11-12-8(6)10/h3,5H,1,4H2,2H3
InChIKeyTYJLSHZBWPTOIX-UHFFFAOYSA-N
XLogP2.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine (CID 56997027) is 3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine is C=CCN(C)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine?
The InChIKey is TYJLSHZBWPTOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3/c1-3-4-13(2)6-5-7(9)11-12-8(6)10/h3,5H,1,4H2,2H3.
What are the key properties of 3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine?
3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine has a molecular weight of 218.09 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-methyl-N-prop-2-enylpyridazin-4-amine is sourced from PubChem (CID 56997027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).