3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid

C6H11N7O2 — CID 25243680

IUPAC3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid
SMILESNNc1nc(N)nc(NCCC(=O)O)n1
InChIInChI=1S/C6H11N7O2/c7-4-10-5(9-2-1-3(14)15)12-6(11-4)13-8/h1-2,8H2,(H,14,15)(H4,7,9,10,11,12,13)
InChIKeyXDACPXUEEIPMSW-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.37
Rot. Bonds5

About 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid

3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid (PubChem CID 25243680) has the molecular formula C6H11N7O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid
PubChem CID25243680
Molecular FormulaC6H11N7O2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid
SMILESNNc1nc(N)nc(NCCC(=O)O)n1
InChIInChI=1S/C6H11N7O2/c7-4-10-5(9-2-1-3(14)15)12-6(11-4)13-8/h1-2,8H2,(H,14,15)(H4,7,9,10,11,12,13)
InChIKeyXDACPXUEEIPMSW-UHFFFAOYSA-N
XLogP-1.37
TPSA152.07 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoyl chloride
CID 130015511
2-N-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242682
3-[[4-[2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]ethylamino]-6-[2-[[4-[2-[[4-(methylamino)-6-(2-sulfanylethylamino)-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]propanoic acid
CID 126546806
3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80905968
tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid
CID 173004298
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80903565
5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460807
2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242687
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
3-[[4-chloro-6-[(4-sulfamoylphenyl)methylamino]-1,3,5-triazin-2-yl]amino]propanoic acid
CID 56666269
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113411167
ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate
CID 80915400

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid (CID 25243680) is 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid is NNc1nc(N)nc(NCCC(=O)O)n1.
What is the InChIKey of 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid?
The InChIKey is XDACPXUEEIPMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N7O2/c7-4-10-5(9-2-1-3(14)15)12-6(11-4)13-8/h1-2,8H2,(H,14,15)(H4,7,9,10,11,12,13).
What are the key properties of 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid?
3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid has a molecular weight of 213.20 g/mol, XLogP of -1.37, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-hydrazinyl-1,3,5-triazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 25243680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).