3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

C14H21N3O2 — CID 79872770

IUPAC3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(NC2CCCC2(C)C)c(C(=O)O)c1C
InChIInChI=1S/C14H21N3O2/c1-8-9(2)16-17-12(11(8)13(18)19)15-10-6-5-7-14(10,3)4/h10H,5-7H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyVBUSJOYNWIUAED-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.78
Rot. Bonds3

About 3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 79872770) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID79872770
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(NC2CCCC2(C)C)c(C(=O)O)c1C
InChIInChI=1S/C14H21N3O2/c1-8-9(2)16-17-12(11(8)13(18)19)15-10-6-5-7-14(10,3)4/h10H,5-7H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyVBUSJOYNWIUAED-UHFFFAOYSA-N
XLogP2.78
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,2-dimethylcyclopentyl)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-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 79872770) is 3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nnc(NC2CCCC2(C)C)c(C(=O)O)c1C.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is VBUSJOYNWIUAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8-9(2)16-17-12(11(8)13(18)19)15-10-6-5-7-14(10,3)4/h10H,5-7H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 79872770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).