1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol

C10H14ClN3O — CID 130965134

IUPAC1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)CN1Cc1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O/c1-7-4-9(15)6-14(7)5-8-2-3-10(11)13-12-8/h2-3,7,9,15H,4-6H2,1H3
InChIKeyGZHSBKWOUPFPCP-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.09
Rot. Bonds2

About 1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol

1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol (PubChem CID 130965134) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol
PubChem CID130965134
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)CN1Cc1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O/c1-7-4-9(15)6-14(7)5-8-2-3-10(11)13-12-8/h2-3,7,9,15H,4-6H2,1H3
InChIKeyGZHSBKWOUPFPCP-UHFFFAOYSA-N
XLogP1.09
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
CID 102956998
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine
CID 102957006
3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
CID 130546911
[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
CID 97169575
1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol
CID 130993389
(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 171774639
1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104513621
1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 71646339
(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 97166514
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine
CID 71644496

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol (CID 130965134) is 1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol is CC1CC(O)CN1Cc1ccc(Cl)nn1.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol?
The InChIKey is GZHSBKWOUPFPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-4-9(15)6-14(7)5-8-2-3-10(11)13-12-8/h2-3,7,9,15H,4-6H2,1H3.
What are the key properties of 1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol?
1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol has a molecular weight of 227.69 g/mol, XLogP of 1.09, 2 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)methyl]-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 130965134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).