6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine

C12H20ClN3 — CID 79481764

IUPAC6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine
SMILESCCC(C)CN(CC)c1ccc(CCl)nn1
InChIInChI=1S/C12H20ClN3/c1-4-10(3)9-16(5-2)12-7-6-11(8-13)14-15-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeySFQQMOCCGARXMX-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.09
Rot. Bonds6

About 6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine

6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine (PubChem CID 79481764) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine
PubChem CID79481764
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine
SMILESCCC(C)CN(CC)c1ccc(CCl)nn1
InChIInChI=1S/C12H20ClN3/c1-4-10(3)9-16(5-2)12-7-6-11(8-13)14-15-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeySFQQMOCCGARXMX-UHFFFAOYSA-N
XLogP3.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-N,N-diethylpyridazin-3-amine
CID 39203370
N'-[6-(chloromethyl)pyridazin-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102996042
2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,5-diamine
CID 79477624
5-(chloromethyl)-N-ethyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958121
6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine
CID 82961078
N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine
CID 79470870
3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 79470761
4-(chloromethyl)-N-ethyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106769248
3-chloro-2-(chloromethyl)-N-ethyl-N-(2-methylbutyl)aniline
CID 79476970
2-N-ethyl-6-N-methyl-2-N-(2-methylbutyl)pyrazine-2,6-diamine
CID 80850264
4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine
CID 79470782
N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine
CID 61255095

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine?
The IUPAC name of 6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine (CID 79481764) is 6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine.
What is the SMILES notation for 6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine?
The canonical SMILES for 6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine is CCC(C)CN(CC)c1ccc(CCl)nn1.
What is the InChIKey of 6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine?
The InChIKey is SFQQMOCCGARXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-10(3)9-16(5-2)12-7-6-11(8-13)14-15-12/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine?
6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine has a molecular weight of 241.77 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-ethyl-N-(2-methylbutyl)pyridazin-3-amine is sourced from PubChem (CID 79481764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).