4,5-diethylpyridazine-3-carboxamide

C9H13N3O — CID 171442930

IUPAC4,5-diethylpyridazine-3-carboxamide
SMILESCCc1cnnc(C(N)=O)c1CC
InChIInChI=1S/C9H13N3O/c1-3-6-5-11-12-8(9(10)13)7(6)4-2/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyCPTOHUSIIMRCME-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.70
Rot. Bonds3

About 4,5-diethylpyridazine-3-carboxamide

4,5-diethylpyridazine-3-carboxamide (PubChem CID 171442930) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4,5-diethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4,5-diethylpyridazine-3-carboxamide
PubChem CID171442930
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4,5-diethylpyridazine-3-carboxamide
SMILESCCc1cnnc(C(N)=O)c1CC
InChIInChI=1S/C9H13N3O/c1-3-6-5-11-12-8(9(10)13)7(6)4-2/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyCPTOHUSIIMRCME-UHFFFAOYSA-N
XLogP0.70
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-diethylpyridazine-3-carboxamide 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 4,5-diethylpyridazine-3-carboxamide?
The IUPAC name of 4,5-diethylpyridazine-3-carboxamide (CID 171442930) is 4,5-diethylpyridazine-3-carboxamide.
What is the SMILES notation for 4,5-diethylpyridazine-3-carboxamide?
The canonical SMILES for 4,5-diethylpyridazine-3-carboxamide is CCc1cnnc(C(N)=O)c1CC.
What is the InChIKey of 4,5-diethylpyridazine-3-carboxamide?
The InChIKey is CPTOHUSIIMRCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-6-5-11-12-8(9(10)13)7(6)4-2/h5H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of 4,5-diethylpyridazine-3-carboxamide?
4,5-diethylpyridazine-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethylpyridazine-3-carboxamide is sourced from PubChem (CID 171442930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).