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

C9H9N5O3 — CID 80507919

IUPAC2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid
SMILESN#Cc1ccnnc1NCC(=O)NCC(=O)O
InChIInChI=1S/C9H9N5O3/c10-3-6-1-2-13-14-9(6)12-4-7(15)11-5-8(16)17/h1-2H,4-5H2,(H,11,15)(H,12,14)(H,16,17)
InChIKeyLFDMHGCHXNODHY-UHFFFAOYSA-N
MW235.20 g/mol
LogP-1.04
Rot. Bonds5

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

2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid (PubChem CID 80507919) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid
PubChem CID80507919
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid
SMILESN#Cc1ccnnc1NCC(=O)NCC(=O)O
InChIInChI=1S/C9H9N5O3/c10-3-6-1-2-13-14-9(6)12-4-7(15)11-5-8(16)17/h1-2H,4-5H2,(H,11,15)(H,12,14)(H,16,17)
InChIKeyLFDMHGCHXNODHY-UHFFFAOYSA-N
XLogP-1.04
TPSA128.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide
CID 80509456
N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
CID 115356285
2-[[2-[(3-cyanopyrazin-2-yl)amino]acetyl]amino]acetic acid
CID 55104822
7-[(4-cyanopyridazin-3-yl)amino]heptanoic acid
CID 80508044
4-[[(4-cyanopyridazin-3-yl)amino]methyl]benzoic acid
CID 80507966
2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid
CID 82817313
4-[2-[(4-cyanopyridazin-3-yl)amino]ethyl]benzoic acid
CID 80507896
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
2-[[(4-cyanopyridazin-3-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475132
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
3-[(4-cyanopyridazin-3-yl)amino]-2,2,3-trimethylbutanoic acid
CID 80508494

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid (CID 80507919) is 2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid is N#Cc1ccnnc1NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid?
The InChIKey is LFDMHGCHXNODHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c10-3-6-1-2-13-14-9(6)12-4-7(15)11-5-8(16)17/h1-2H,4-5H2,(H,11,15)(H,12,14)(H,16,17).
What are the key properties of 2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid has a molecular weight of 235.20 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-cyanopyridazin-3-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 80507919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).