3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid

C9H13N5O2 — CID 175425604

IUPAC3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
SMILESNc1ccc(NC2CCN(C(=O)O)C2)nn1
InChIInChI=1S/C9H13N5O2/c10-7-1-2-8(13-12-7)11-6-3-4-14(5-6)9(15)16/h1-2,6H,3-5H2,(H2,10,12)(H,11,13)(H,15,16)
InChIKeyKTZJJNJFTDOPJW-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.22
Rot. Bonds2

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

3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 175425604) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
PubChem CID175425604
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
SMILESNc1ccc(NC2CCN(C(=O)O)C2)nn1
InChIInChI=1S/C9H13N5O2/c10-7-1-2-8(13-12-7)11-6-3-4-14(5-6)9(15)16/h1-2,6H,3-5H2,(H2,10,12)(H,11,13)(H,15,16)
InChIKeyKTZJJNJFTDOPJW-UHFFFAOYSA-N
XLogP0.22
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-aminopyridazin-3-yl)amino]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

(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
(3S)-3-(4-aminoanilino)pyrrolidine-1-carboxylic acid
CID 66738310
4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid
CID 172785569
(3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
CID 139461300
(3S)-3-(4-bromoanilino)pyrrolidine-1-carboxylic acid
CID 170189829
(3S)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]pyrrolidine-1-carboxylic acid
CID 122552575
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566
6-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
CID 133420304
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109117873
3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174192999

Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid (CID 175425604) is 3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid is Nc1ccc(NC2CCN(C(=O)O)C2)nn1.
What is the InChIKey of 3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is KTZJJNJFTDOPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-7-1-2-8(13-12-7)11-6-3-4-14(5-6)9(15)16/h1-2,6H,3-5H2,(H2,10,12)(H,11,13)(H,15,16).
What are the key properties of 3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 223.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175425604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).