(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine

C9H13ClN4 — CID 86318137

IUPAC(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C9H13ClN4/c10-8-3-4-9(13-12-8)14-5-1-2-7(11)6-14/h3-4,7H,1-2,5-6,11H2/t7-/m0/s1
InChIKeyCEDRYJYDVNPIIL-ZETCQYMHSA-N
MW212.68 g/mol
LogP1.06
Rot. Bonds1

About (3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine

(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine (PubChem CID 86318137) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is (3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
PubChem CID86318137
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C9H13ClN4/c10-8-3-4-9(13-12-8)14-5-1-2-7(11)6-14/h3-4,7H,1-2,5-6,11H2/t7-/m0/s1
InChIKeyCEDRYJYDVNPIIL-ZETCQYMHSA-N
XLogP1.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
1-pyridazin-3-ylpiperidin-3-amine
CID 54593919
1-(6-chloropyridazin-3-yl)azepan-4-ol
CID 130608611
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
(3aS,6aS)-2-(6-chloropyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine;dihydrochloride
CID 154639878
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 96557217
1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine
CID 56770727
3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
CID 54989826
1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine
CID 116972407
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine?
The IUPAC name of (3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine (CID 86318137) is (3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine is N[C@H]1CCCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of (3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine?
The InChIKey is CEDRYJYDVNPIIL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-8-3-4-9(13-12-8)14-5-1-2-7(11)6-14/h3-4,7H,1-2,5-6,11H2/t7-/m0/s1.
What are the key properties of (3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine?
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine has a molecular weight of 212.68 g/mol, XLogP of 1.06, 1 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)piperidin-3-amine is sourced from PubChem (CID 86318137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).