3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid

C9H12N4O2 — CID 146459255

IUPAC3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid
SMILESNc1ccc(C2CCN(C(=O)O)C2)nn1
InChIInChI=1S/C9H12N4O2/c10-8-2-1-7(11-12-8)6-3-4-13(5-6)9(14)15/h1-2,6H,3-5H2,(H2,10,12)(H,14,15)
InChIKeyLOGVSGDPBVRCRD-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.53
Rot. Bonds1

About 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid

3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid (PubChem CID 146459255) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid
PubChem CID146459255
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid
SMILESNc1ccc(C2CCN(C(=O)O)C2)nn1
InChIInChI=1S/C9H12N4O2/c10-8-2-1-7(11-12-8)6-3-4-13(5-6)9(14)15/h1-2,6H,3-5H2,(H2,10,12)(H,14,15)
InChIKeyLOGVSGDPBVRCRD-UHFFFAOYSA-N
XLogP0.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 89739938
tert-Butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 122163297
4-Hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylic acid
CID 23453928
[(6-Pentylpyridazin-3-yl)amino]-prop-2-enylcarbamic acid
CID 70629998
tert-butyl 4-(6-aminopyridazin-3-yl)-3,6-dihydropyridine-1(2H)-carboxylate
CID 89741318
3-(6-Methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid
CID 91382095
6-Pyrrolidin-3-ylpyridazin-3-amine
CID 117105039
Tert-butyl 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 124166578
1,1-Dimethylethyl 3-(6-amino-3-pyridazinyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 124166579
tert-butyl (2S)-2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 124300162
1-(6-Amino-3-phenylpyridazin-4-yl)ethylcarbamic acid
CID 130387141
Tert-butyl 3-(6-aminopyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 138674725

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid (CID 146459255) is 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid is Nc1ccc(C2CCN(C(=O)O)C2)nn1.
What is the InChIKey of 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is LOGVSGDPBVRCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-8-2-1-7(11-12-8)6-3-4-13(5-6)9(14)15/h1-2,6H,3-5H2,(H2,10,12)(H,14,15).
What are the key properties of 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid?
3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 146459255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).