6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one

C8H12ClN3O — CID 82506308

IUPAC6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one
SMILESC=C(Cl)CN1N=C(CN)CCC1=O
InChIInChI=1S/C8H12ClN3O/c1-6(9)5-12-8(13)3-2-7(4-10)11-12/h1-5,10H2
InChIKeyDDIQBHLQLALQBQ-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.68
Rot. Bonds3

About 6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one

6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one (PubChem CID 82506308) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one
PubChem CID82506308
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one
SMILESC=C(Cl)CN1N=C(CN)CCC1=O
InChIInChI=1S/C8H12ClN3O/c1-6(9)5-12-8(13)3-2-7(4-10)11-12/h1-5,10H2
InChIKeyDDIQBHLQLALQBQ-UHFFFAOYSA-N
XLogP0.68
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one (CID 82506308) is 6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one is C=C(Cl)CN1N=C(CN)CCC1=O.
What is the InChIKey of 6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one?
The InChIKey is DDIQBHLQLALQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-6(9)5-12-8(13)3-2-7(4-10)11-12/h1-5,10H2.
What are the key properties of 6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one?
6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one has a molecular weight of 201.66 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 82506308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).