3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid

C15H22N4O2 — CID 81065330

IUPAC3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid
SMILESCCc1nnc(NCC(CC)CC(=O)O)c(C#N)c1CC
InChIInChI=1S/C15H22N4O2/c1-4-10(7-14(20)21)9-17-15-12(8-16)11(5-2)13(6-3)18-19-15/h10H,4-7,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyNGQCQKCPPIEYFK-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.39
Rot. Bonds8

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

3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid (PubChem CID 81065330) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid
PubChem CID81065330
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid
SMILESCCc1nnc(NCC(CC)CC(=O)O)c(C#N)c1CC
InChIInChI=1S/C15H22N4O2/c1-4-10(7-14(20)21)9-17-15-12(8-16)11(5-2)13(6-3)18-19-15/h10H,4-7,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyNGQCQKCPPIEYFK-UHFFFAOYSA-N
XLogP2.39
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid (CID 81065330) is 3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid is CCc1nnc(NCC(CC)CC(=O)O)c(C#N)c1CC.
What is the InChIKey of 3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid?
The InChIKey is NGQCQKCPPIEYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-10(7-14(20)21)9-17-15-12(8-16)11(5-2)13(6-3)18-19-15/h10H,4-7,9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid?
3-[[(4-cyano-5,6-diethylpyridazin-3-yl)amino]methyl]pentanoic acid has a molecular weight of 290.37 g/mol, XLogP of 2.39, 8 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]methyl]pentanoic acid is sourced from PubChem (CID 81065330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).