2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid

C8H9ClN4O3 — CID 43465654

IUPAC2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1ccc(Cl)nn1
InChIInChI=1S/C8H9ClN4O3/c9-5-1-2-6(13-12-5)10-3-7(14)11-4-8(15)16/h1-2H,3-4H2,(H,10,13)(H,11,14)(H,15,16)
InChIKeyCTEHRUUYGKUPQV-UHFFFAOYSA-N
MW244.64 g/mol
LogP-0.26
Rot. Bonds5

About 2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid

2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid (PubChem CID 43465654) has the molecular formula C8H9ClN4O3 and a molecular weight of 244.64 g/mol. Its IUPAC name is 2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid
PubChem CID43465654
Molecular FormulaC8H9ClN4O3
Molecular Weight244.64 g/mol
Exact Mass244.04
IUPAC Name2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNc1ccc(Cl)nn1
InChIInChI=1S/C8H9ClN4O3/c9-5-1-2-6(13-12-5)10-3-7(14)11-4-8(15)16/h1-2H,3-4H2,(H,10,13)(H,11,14)(H,15,16)
InChIKeyCTEHRUUYGKUPQV-UHFFFAOYSA-N
XLogP-0.26
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.64
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid (CID 43465654) is 2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNc1ccc(Cl)nn1.
What is the InChIKey of 2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid?
The InChIKey is CTEHRUUYGKUPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O3/c9-5-1-2-6(13-12-5)10-3-7(14)11-4-8(15)16/h1-2H,3-4H2,(H,10,13)(H,11,14)(H,15,16).
What are the key properties of 2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid has a molecular weight of 244.64 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-chloropyridazin-3-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).