6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid

C12H17N3O2 — CID 63657564

IUPAC6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid
SMILESCN(CC1CCCC1)c1ccc(C(=O)O)nn1
InChIInChI=1S/C12H17N3O2/c1-15(8-9-4-2-3-5-9)11-7-6-10(12(16)17)13-14-11/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeyTWAMLSLXHGOPSE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.80
Rot. Bonds4

About 6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid

6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid (PubChem CID 63657564) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid
PubChem CID63657564
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid
SMILESCN(CC1CCCC1)c1ccc(C(=O)O)nn1
InChIInChI=1S/C12H17N3O2/c1-15(8-9-4-2-3-5-9)11-7-6-10(12(16)17)13-14-11/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeyTWAMLSLXHGOPSE-UHFFFAOYSA-N
XLogP1.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid (CID 63657564) is 6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid is CN(CC1CCCC1)c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid?
The InChIKey is TWAMLSLXHGOPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(8-9-4-2-3-5-9)11-7-6-10(12(16)17)13-14-11/h6-7,9H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid?
6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentylmethyl(methyl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 63657564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).