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

C15H23N3O2 — CID 79872510

IUPAC3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(NC2CCCCC2(C)C)c(C(=O)O)c1C
InChIInChI=1S/C15H23N3O2/c1-9-10(2)17-18-13(12(9)14(19)20)16-11-7-5-6-8-15(11,3)4/h11H,5-8H2,1-4H3,(H,16,18)(H,19,20)
InChIKeySUYBHYVUDJBDFH-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.17
Rot. Bonds3

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

3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 79872510) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID79872510
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(NC2CCCCC2(C)C)c(C(=O)O)c1C
InChIInChI=1S/C15H23N3O2/c1-9-10(2)17-18-13(12(9)14(19)20)16-11-7-5-6-8-15(11,3)4/h11H,5-8H2,1-4H3,(H,16,18)(H,19,20)
InChIKeySUYBHYVUDJBDFH-UHFFFAOYSA-N
XLogP3.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 79872510) is 3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nnc(NC2CCCCC2(C)C)c(C(=O)O)c1C.
What is the InChIKey of 3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is SUYBHYVUDJBDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9-10(2)17-18-13(12(9)14(19)20)16-11-7-5-6-8-15(11,3)4/h11H,5-8H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclohexyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 79872510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).