3-[methyl(propyl)amino]pyridazine-4-carboxylic acid

C9H13N3O2 — CID 80517652

IUPAC3-[methyl(propyl)amino]pyridazine-4-carboxylic acid
SMILESCCCN(C)c1nnccc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-3-6-12(2)8-7(9(13)14)4-5-10-11-8/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyCVGCDECSQIPHEG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.02
Rot. Bonds4

About 3-[methyl(propyl)amino]pyridazine-4-carboxylic acid

3-[methyl(propyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80517652) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[methyl(propyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(propyl)amino]pyridazine-4-carboxylic acid
PubChem CID80517652
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-[methyl(propyl)amino]pyridazine-4-carboxylic acid
SMILESCCCN(C)c1nnccc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-3-6-12(2)8-7(9(13)14)4-5-10-11-8/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyCVGCDECSQIPHEG-UHFFFAOYSA-N
XLogP1.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[methyl(propyl)amino]pyridazine-4-carboxylic acid (CID 80517652) is 3-[methyl(propyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[methyl(propyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[methyl(propyl)amino]pyridazine-4-carboxylic acid is CCCN(C)c1nnccc1C(=O)O.
What is the InChIKey of 3-[methyl(propyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is CVGCDECSQIPHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-6-12(2)8-7(9(13)14)4-5-10-11-8/h4-5H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl(propyl)amino]pyridazine-4-carboxylic acid?
3-[methyl(propyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).