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

C14H20N4O2 — CID 115427688

IUPAC3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid
SMILESCCc1nnc(NCC(C)(C)C(=O)O)c(C#N)c1CC
InChIInChI=1S/C14H20N4O2/c1-5-9-10(7-15)12(18-17-11(9)6-2)16-8-14(3,4)13(19)20/h5-6,8H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyYYUFSRYZBBGRMW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.00
Rot. Bonds6

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

3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid (PubChem CID 115427688) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid
PubChem CID115427688
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid
SMILESCCc1nnc(NCC(C)(C)C(=O)O)c(C#N)c1CC
InChIInChI=1S/C14H20N4O2/c1-5-9-10(7-15)12(18-17-11(9)6-2)16-8-14(3,4)13(19)20/h5-6,8H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyYYUFSRYZBBGRMW-UHFFFAOYSA-N
XLogP2.00
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396
3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 104858530
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile
CID 103757052
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
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
CID 106236890
tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate
CID 103756562
3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid
CID 81065330
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
CID 80510567

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid (CID 115427688) is 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid is CCc1nnc(NCC(C)(C)C(=O)O)c(C#N)c1CC.
What is the InChIKey of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is YYUFSRYZBBGRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-5-9-10(7-15)12(18-17-11(9)6-2)16-8-14(3,4)13(19)20/h5-6,8H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid?
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).