methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate

C12H17N3O3 — CID 60979698

IUPACmethyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC(CO)C2)nn1
InChIInChI=1S/C12H17N3O3/c1-18-12(17)10-4-5-11(14-13-10)15-6-2-3-9(7-15)8-16/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyQFTPGEDQLVVHGH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.47
Rot. Bonds3

About methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate

methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate (PubChem CID 60979698) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
PubChem CID60979698
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC(CO)C2)nn1
InChIInChI=1S/C12H17N3O3/c1-18-12(17)10-4-5-11(14-13-10)15-6-2-3-9(7-15)8-16/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyQFTPGEDQLVVHGH-UHFFFAOYSA-N
XLogP0.47
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133322299
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133397967
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133356029
[1-(6-propylpyridazin-3-yl)piperidin-3-yl]methanol
CID 116972332
ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129495548
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate
CID 102935159
methyl 6-[(3S)-3-anilinopyrrolidin-1-yl]pyridazine-3-carboxylate
CID 96524339

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate (CID 60979698) is methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCCC(CO)C2)nn1.
What is the InChIKey of methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate?
The InChIKey is QFTPGEDQLVVHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-12(17)10-4-5-11(14-13-10)15-6-2-3-9(7-15)8-16/h4-5,9,16H,2-3,6-8H2,1H3.
What are the key properties of methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate?
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 60979698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).