[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine

C9H13ClN4 — CID 94342103

IUPAC[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C9H13ClN4/c10-8-1-2-9(13-12-8)14-4-3-7(5-11)6-14/h1-2,7H,3-6,11H2/t7-/m0/s1
InChIKeyTXMMOWDSQLDRTP-ZETCQYMHSA-N
MW212.68 g/mol
LogP0.92
Rot. Bonds2

About [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine

[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 94342103) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID94342103
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C9H13ClN4/c10-8-1-2-9(13-12-8)14-4-3-7(5-11)6-14/h1-2,7H,3-6,11H2/t7-/m0/s1
InChIKeyTXMMOWDSQLDRTP-ZETCQYMHSA-N
XLogP0.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine 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)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]methanamine
CID 116972994
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propanoic acid
CID 55049699
2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol
CID 54099591
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine
CID 167504088

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine (CID 94342103) is [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine is NC[C@@H]1CCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is TXMMOWDSQLDRTP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-8-1-2-9(13-12-8)14-4-3-7(5-11)6-14/h1-2,7H,3-6,11H2/t7-/m0/s1.
What are the key properties of [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine?
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 212.68 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 94342103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).