4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid

C9H12ClN3O3 — CID 103153775

IUPAC4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid
SMILESCOC(CNc1ccc(Cl)nn1)CC(=O)O
InChIInChI=1S/C9H12ClN3O3/c1-16-6(4-9(14)15)5-11-8-3-2-7(10)12-13-8/h2-3,6H,4-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyHHVAWOAXIHUJSC-UHFFFAOYSA-N
MW245.67 g/mol
LogP1.03
Rot. Bonds6

About 4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid

4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid (PubChem CID 103153775) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid
PubChem CID103153775
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid
SMILESCOC(CNc1ccc(Cl)nn1)CC(=O)O
InChIInChI=1S/C9H12ClN3O3/c1-16-6(4-9(14)15)5-11-8-3-2-7(10)12-13-8/h2-3,6H,4-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyHHVAWOAXIHUJSC-UHFFFAOYSA-N
XLogP1.03
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid (CID 103153775) is 4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid is COC(CNc1ccc(Cl)nn1)CC(=O)O.
What is the InChIKey of 4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid?
The InChIKey is HHVAWOAXIHUJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-16-6(4-9(14)15)5-11-8-3-2-7(10)12-13-8/h2-3,6H,4-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid?
4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid has a molecular weight of 245.67 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103153775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).