5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid

C14H23N3O3 — CID 80517199

IUPAC5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid
SMILESCCc1nnc(NC(C)CCCO)c(C(=O)O)c1CC
InChIInChI=1S/C14H23N3O3/c1-4-10-11(5-2)16-17-13(12(10)14(19)20)15-9(3)7-6-8-18/h9,18H,4-8H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyODNKRSNXVPDFTL-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.87
Rot. Bonds8

About 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid

5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid (PubChem CID 80517199) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid
PubChem CID80517199
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid
SMILESCCc1nnc(NC(C)CCCO)c(C(=O)O)c1CC
InChIInChI=1S/C14H23N3O3/c1-4-10-11(5-2)16-17-13(12(10)14(19)20)15-9(3)7-6-8-18/h9,18H,4-8H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyODNKRSNXVPDFTL-UHFFFAOYSA-N
XLogP1.87
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-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

Related Compounds

5,6-diethyl-3-(heptan-2-ylamino)pyridazine-4-carbothioamide
CID 80511129
5,6-diethyl-3-(pentan-2-ylamino)pyridazine-4-carbothioamide
CID 80510877
5,6-diethyl-3-(3-hydroxypropoxy)pyridazine-4-carboxylic acid
CID 80517318
5,6-diethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbothioamide
CID 80511616
5,6-diethyl-3-(4-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboxylic acid
CID 80518180
5,6-diethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carboxylic acid
CID 80517701
3-[2-(diethylamino)ethylamino]-5,6-diethylpyridazine-4-carboxylic acid
CID 80517506
5,6-diethyl-3-(2-methylsulfonylethylamino)pyridazine-4-carboxylic acid
CID 80516453
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
5-hydroxypentan-2-ylcarbamic acid
CID 87586302
3-[(3,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carboxylic acid
CID 114541269
5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid
CID 106137556

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid (CID 80517199) is 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid is CCc1nnc(NC(C)CCCO)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid?
The InChIKey is ODNKRSNXVPDFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-10-11(5-2)16-17-13(12(10)14(19)20)15-9(3)7-6-8-18/h9,18H,4-8H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid?
5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(5-hydroxypentan-2-ylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).