2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid

C8H14N6O2 — CID 146259481

IUPAC2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESNCCCNc1ncnc(NCC(=O)O)n1
InChIInChI=1S/C8H14N6O2/c9-2-1-3-10-7-12-5-13-8(14-7)11-4-6(15)16/h5H,1-4,9H2,(H,15,16)(H2,10,11,12,13,14)
InChIKeyFIQDUZTZBIAFLE-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.87
Rot. Bonds7

About 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid

2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid (PubChem CID 146259481) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid
PubChem CID146259481
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESNCCCNc1ncnc(NCC(=O)O)n1
InChIInChI=1S/C8H14N6O2/c9-2-1-3-10-7-12-5-13-8(14-7)11-4-6(15)16/h5H,1-4,9H2,(H,15,16)(H2,10,11,12,13,14)
InChIKeyFIQDUZTZBIAFLE-UHFFFAOYSA-N
XLogP-0.87
TPSA126.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid (CID 146259481) is 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid is NCCCNc1ncnc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The InChIKey is FIQDUZTZBIAFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c9-2-1-3-10-7-12-5-13-8(14-7)11-4-6(15)16/h5H,1-4,9H2,(H,15,16)(H2,10,11,12,13,14).
What are the key properties of 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid has a molecular weight of 226.24 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-aminopropylamino)-1,3,5-triazin-2-yl]amino]acetic acid is sourced from PubChem (CID 146259481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).