6-(chloromethyl)-N,N-diethylpyridazin-3-amine

C9H14ClN3 — CID 39203370

IUPAC6-(chloromethyl)-N,N-diethylpyridazin-3-amine
SMILESCCN(CC)c1ccc(CCl)nn1
InChIInChI=1S/C9H14ClN3/c1-3-13(4-2)9-6-5-8(7-10)11-12-9/h5-6H,3-4,7H2,1-2H3
InChIKeyQIXHLRGMNWIITK-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.06
Rot. Bonds4

About 6-(chloromethyl)-N,N-diethylpyridazin-3-amine

6-(chloromethyl)-N,N-diethylpyridazin-3-amine (PubChem CID 39203370) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 6-(chloromethyl)-N,N-diethylpyridazin-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N,N-diethylpyridazin-3-amine
PubChem CID39203370
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name6-(chloromethyl)-N,N-diethylpyridazin-3-amine
SMILESCCN(CC)c1ccc(CCl)nn1
InChIInChI=1S/C9H14ClN3/c1-3-13(4-2)9-6-5-8(7-10)11-12-9/h5-6H,3-4,7H2,1-2H3
InChIKeyQIXHLRGMNWIITK-UHFFFAOYSA-N
XLogP2.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N,N-diethylpyridazin-3-amine?
The IUPAC name of 6-(chloromethyl)-N,N-diethylpyridazin-3-amine (CID 39203370) is 6-(chloromethyl)-N,N-diethylpyridazin-3-amine.
What is the SMILES notation for 6-(chloromethyl)-N,N-diethylpyridazin-3-amine?
The canonical SMILES for 6-(chloromethyl)-N,N-diethylpyridazin-3-amine is CCN(CC)c1ccc(CCl)nn1.
What is the InChIKey of 6-(chloromethyl)-N,N-diethylpyridazin-3-amine?
The InChIKey is QIXHLRGMNWIITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-13(4-2)9-6-5-8(7-10)11-12-9/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 6-(chloromethyl)-N,N-diethylpyridazin-3-amine?
6-(chloromethyl)-N,N-diethylpyridazin-3-amine has a molecular weight of 199.69 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N,N-diethylpyridazin-3-amine is sourced from PubChem (CID 39203370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).