1-(3-amino-6-chloropyridazin-4-yl)propan-1-one

C7H8ClN3O — CID 143819845

IUPAC1-(3-amino-6-chloropyridazin-4-yl)propan-1-one
SMILESCCC(=O)c1cc(Cl)nnc1N
InChIInChI=1S/C7H8ClN3O/c1-2-5(12)4-3-6(8)10-11-7(4)9/h3H,2H2,1H3,(H2,9,11)
InChIKeyBXNDKDPYNOLCSD-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.30
Rot. Bonds2

About 1-(3-amino-6-chloropyridazin-4-yl)propan-1-one

1-(3-amino-6-chloropyridazin-4-yl)propan-1-one (PubChem CID 143819845) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 1-(3-amino-6-chloropyridazin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-6-chloropyridazin-4-yl)propan-1-one
PubChem CID143819845
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name1-(3-amino-6-chloropyridazin-4-yl)propan-1-one
SMILESCCC(=O)c1cc(Cl)nnc1N
InChIInChI=1S/C7H8ClN3O/c1-2-5(12)4-3-6(8)10-11-7(4)9/h3H,2H2,1H3,(H2,9,11)
InChIKeyBXNDKDPYNOLCSD-UHFFFAOYSA-N
XLogP1.30
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-chloropyridazin-4-yl)propan-1-one?
The IUPAC name of 1-(3-amino-6-chloropyridazin-4-yl)propan-1-one (CID 143819845) is 1-(3-amino-6-chloropyridazin-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-amino-6-chloropyridazin-4-yl)propan-1-one?
The canonical SMILES for 1-(3-amino-6-chloropyridazin-4-yl)propan-1-one is CCC(=O)c1cc(Cl)nnc1N.
What is the InChIKey of 1-(3-amino-6-chloropyridazin-4-yl)propan-1-one?
The InChIKey is BXNDKDPYNOLCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-2-5(12)4-3-6(8)10-11-7(4)9/h3H,2H2,1H3,(H2,9,11).
What are the key properties of 1-(3-amino-6-chloropyridazin-4-yl)propan-1-one?
1-(3-amino-6-chloropyridazin-4-yl)propan-1-one has a molecular weight of 185.61 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-chloropyridazin-4-yl)propan-1-one is sourced from PubChem (CID 143819845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).