3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

C14H21N3O2 — CID 63657397

IUPAC3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(N(C)CC2CCCC2)c(C(=O)O)c1C
InChIInChI=1S/C14H21N3O2/c1-9-10(2)15-16-13(12(9)14(18)19)17(3)8-11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,18,19)
InChIKeyJGNLQDNQQYPWRN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds4

About 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 63657397) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID63657397
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(N(C)CC2CCCC2)c(C(=O)O)c1C
InChIInChI=1S/C14H21N3O2/c1-9-10(2)15-16-13(12(9)14(18)19)17(3)8-11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,18,19)
InChIKeyJGNLQDNQQYPWRN-UHFFFAOYSA-N
XLogP2.42
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 63657397) is 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nnc(N(C)CC2CCCC2)c(C(=O)O)c1C.
What is the InChIKey of 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is JGNLQDNQQYPWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-10(2)15-16-13(12(9)14(18)19)17(3)8-11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 63657397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).