N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide

C10H12ClN3O — CID 170489699

IUPACN-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O/c1-8(15)12-7-3-2-4-9-5-6-10(11)14-13-9/h2,4-6H,3,7H2,1H3,(H,12,15)
InChIKeyYKHYNRXCXQDAMI-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.67
Rot. Bonds4

About N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide

N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide (PubChem CID 170489699) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide
PubChem CID170489699
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC NameN-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O/c1-8(15)12-7-3-2-4-9-5-6-10(11)14-13-9/h2,4-6H,3,7H2,1H3,(H,12,15)
InChIKeyYKHYNRXCXQDAMI-UHFFFAOYSA-N
XLogP1.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide
CID 170488101
tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169468523
tert-butyl N-[4-(6-methoxypyridazin-3-yl)but-3-enyl]carbamate
CID 170490124
N-[4-(3-chloro-4-pyridinyl)but-3-enyl]acetamide
CID 170488130
N-[4-(2,3,5-trichlorophenyl)but-3-enyl]acetamide
CID 170488463
N-[4-(5-nitro-2-pyridinyl)but-3-enyl]acetamide
CID 170488639
N-[4-(4-chloroquinazolin-7-yl)but-3-enyl]acetamide
CID 170489399
N-[4-[4-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488172
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide
CID 170488447
N-[4-(2-bromo-5-chlorophenyl)but-3-enyl]acetamide
CID 170489725
N-[4-[4-chloro-3-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488489

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide (CID 170489699) is N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc(Cl)nn1.
What is the InChIKey of N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide?
The InChIKey is YKHYNRXCXQDAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-8(15)12-7-3-2-4-9-5-6-10(11)14-13-9/h2,4-6H,3,7H2,1H3,(H,12,15).
What are the key properties of N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide?
N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide has a molecular weight of 225.68 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170489699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).