6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid

C12H17N3O3 — CID 175421991

IUPAC6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(CO)CC2)nn1
InChIInChI=1S/C12H17N3O3/c16-8-9-3-5-15(6-4-9)7-10-1-2-11(12(17)18)14-13-10/h1-2,9,16H,3-8H2,(H,17,18)
InChIKeyHXFAGUORYSDPBB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.38
Rot. Bonds4

About 6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid

6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid (PubChem CID 175421991) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid
PubChem CID175421991
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(CO)CC2)nn1
InChIInChI=1S/C12H17N3O3/c16-8-9-3-5-15(6-4-9)7-10-1-2-11(12(17)18)14-13-10/h1-2,9,16H,3-8H2,(H,17,18)
InChIKeyHXFAGUORYSDPBB-UHFFFAOYSA-N
XLogP0.38
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid (CID 175421991) is 6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid is O=C(O)c1ccc(CN2CCC(CO)CC2)nn1.
What is the InChIKey of 6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid?
The InChIKey is HXFAGUORYSDPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-8-9-3-5-15(6-4-9)7-10-1-2-11(12(17)18)14-13-10/h1-2,9,16H,3-8H2,(H,17,18).
What are the key properties of 6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid?
6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 175421991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).