3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine

C12H19N3 — CID 105163351

IUPAC3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine
SMILESCCCNC(C=C(C)C)c1ccnnc1
InChIInChI=1S/C12H19N3/c1-4-6-13-12(8-10(2)3)11-5-7-14-15-9-11/h5,7-9,12-13H,4,6H2,1-3H3
InChIKeyJCAIMNQHYYGSKD-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.48
Rot. Bonds5

About 3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine

3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine (PubChem CID 105163351) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine
PubChem CID105163351
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine
SMILESCCCNC(C=C(C)C)c1ccnnc1
InChIInChI=1S/C12H19N3/c1-4-6-13-12(8-10(2)3)11-5-7-14-15-9-11/h5,7-9,12-13H,4,6H2,1-3H3
InChIKeyJCAIMNQHYYGSKD-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine
CID 105004562
N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine
CID 79190171
1-(5-fluoro-2-pyridinyl)-3-methyl-N-propylbut-2-en-1-amine
CID 79712711
1-(5-chlorofuran-2-yl)-3-methyl-N-propylbut-2-en-1-amine
CID 106692487
N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105147199
N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105168364
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105188741
N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105145275
N-[(5-fluoro-3-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105102315
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105142994

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine (CID 105163351) is 3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine is CCCNC(C=C(C)C)c1ccnnc1.
What is the InChIKey of 3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine?
The InChIKey is JCAIMNQHYYGSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-6-13-12(8-10(2)3)11-5-7-14-15-9-11/h5,7-9,12-13H,4,6H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine?
3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine has a molecular weight of 205.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine is sourced from PubChem (CID 105163351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).