2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid

C15H22N4O2 — CID 80508678

IUPAC2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid
SMILESCCc1nnc(NC(CC(C)C)C(=O)O)c(C#N)c1CC
InChIInChI=1S/C15H22N4O2/c1-5-10-11(8-16)14(19-18-12(10)6-2)17-13(15(20)21)7-9(3)4/h9,13H,5-7H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyKZDNBANDIQQMFI-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.38
Rot. Bonds7

About 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid

2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid (PubChem CID 80508678) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid
PubChem CID80508678
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid
SMILESCCc1nnc(NC(CC(C)C)C(=O)O)c(C#N)c1CC
InChIInChI=1S/C15H22N4O2/c1-5-10-11(8-16)14(19-18-12(10)6-2)17-13(15(20)21)7-9(3)4/h9,13H,5-7H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyKZDNBANDIQQMFI-UHFFFAOYSA-N
XLogP2.38
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic 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

3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
CID 80501749
5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 80509663
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid
CID 115427688
3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid
CID 81065330
methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
CID 80509437
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499
5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 80504642
5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
CID 115693824
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid (CID 80508678) is 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid is CCc1nnc(NC(CC(C)C)C(=O)O)c(C#N)c1CC.
What is the InChIKey of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid?
The InChIKey is KZDNBANDIQQMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-10-11(8-16)14(19-18-12(10)6-2)17-13(15(20)21)7-9(3)4/h9,13H,5-7H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid?
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid has a molecular weight of 290.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 80508678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).