1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol

C9H12ClN3O — CID 131113638

IUPAC1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(c2ccc(Cl)nn2)CC1O
InChIInChI=1S/C9H12ClN3O/c1-6-4-13(5-7(6)14)9-3-2-8(10)11-12-9/h2-3,6-7,14H,4-5H2,1H3
InChIKeyPLDXGVOCSDWJPG-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.95
Rot. Bonds1

About 1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol

1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol (PubChem CID 131113638) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol
PubChem CID131113638
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(c2ccc(Cl)nn2)CC1O
InChIInChI=1S/C9H12ClN3O/c1-6-4-13(5-7(6)14)9-3-2-8(10)11-12-9/h2-3,6-7,14H,4-5H2,1H3
InChIKeyPLDXGVOCSDWJPG-UHFFFAOYSA-N
XLogP0.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
2-[(3R,4S)-1-(6-chloropyridazin-3-yl)-3-methylpiperidin-4-yl]ethanol
CID 54099591
(3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol
CID 173296658
3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 44590008
[(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
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
1-(6-chloropyridazin-3-yl)azepan-4-ol
CID 130608611
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine
CID 15124627
(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine
CID 167504088
3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine
CID 129497823

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol (CID 131113638) is 1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol is CC1CN(c2ccc(Cl)nn2)CC1O.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol?
The InChIKey is PLDXGVOCSDWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6-4-13(5-7(6)14)9-3-2-8(10)11-12-9/h2-3,6-7,14H,4-5H2,1H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol?
1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol has a molecular weight of 213.67 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 131113638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).