2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid

C10H12N4O2 — CID 80507828

IUPAC2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid
SMILESCCCC(Nc1nnccc1C#N)C(=O)O
InChIInChI=1S/C10H12N4O2/c1-2-3-8(10(15)16)13-9-7(6-11)4-5-12-14-9/h4-5,8H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyIEYXBVSKTAMFCY-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.01
Rot. Bonds5

About 2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid

2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid (PubChem CID 80507828) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid
PubChem CID80507828
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid
SMILESCCCC(Nc1nnccc1C#N)C(=O)O
InChIInChI=1S/C10H12N4O2/c1-2-3-8(10(15)16)13-9-7(6-11)4-5-12-14-9/h4-5,8H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyIEYXBVSKTAMFCY-UHFFFAOYSA-N
XLogP1.01
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid?
The IUPAC name of 2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid (CID 80507828) is 2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid is CCCC(Nc1nnccc1C#N)C(=O)O.
What is the InChIKey of 2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid?
The InChIKey is IEYXBVSKTAMFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-3-8(10(15)16)13-9-7(6-11)4-5-12-14-9/h4-5,8H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid?
2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanopyridazin-3-yl)amino]pentanoic acid is sourced from PubChem (CID 80507828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).