3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid

C14H18N4O3 — CID 80508108

IUPAC3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid
SMILESCCc1nnc(NC2(C(=O)O)CCOC2)c(C#N)c1CC
InChIInChI=1S/C14H18N4O3/c1-3-9-10(7-15)12(18-17-11(9)4-2)16-14(13(19)20)5-6-21-8-14/h3-6,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyCKLSNFGPOJZKHL-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.13
Rot. Bonds5

About 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid

3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid (PubChem CID 80508108) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid
PubChem CID80508108
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid
SMILESCCc1nnc(NC2(C(=O)O)CCOC2)c(C#N)c1CC
InChIInChI=1S/C14H18N4O3/c1-3-9-10(7-15)12(18-17-11(9)4-2)16-14(13(19)20)5-6-21-8-14/h3-6,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyCKLSNFGPOJZKHL-UHFFFAOYSA-N
XLogP1.13
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-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-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid (CID 80508108) is 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid is CCc1nnc(NC2(C(=O)O)CCOC2)c(C#N)c1CC.
What is the InChIKey of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is CKLSNFGPOJZKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-9-10(7-15)12(18-17-11(9)4-2)16-14(13(19)20)5-6-21-8-14/h3-6,8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid?
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 80508108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).