6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid

C11H15N3O2 — CID 20982966

IUPAC6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
SMILESCC1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C11H15N3O2/c1-8-4-6-14(7-5-8)10-3-2-9(11(15)16)12-13-10/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyINIKNYYZYCNYMN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.41
Rot. Bonds2

About 6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid

6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid (PubChem CID 20982966) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
PubChem CID20982966
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
SMILESCC1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C11H15N3O2/c1-8-4-6-14(7-5-8)10-3-2-9(11(15)16)12-13-10/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyINIKNYYZYCNYMN-UHFFFAOYSA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113150
6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide
CID 176986123
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113322
6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109113261

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid (CID 20982966) is 6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid is CC1CCN(c2ccc(C(=O)O)nn2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is INIKNYYZYCNYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-4-6-14(7-5-8)10-3-2-9(11(15)16)12-13-10/h2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of 6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid?
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 20982966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).