1-amino-1-(1,3,5-triazin-2-yl)ethanol

C5H8N4O — CID 89466824

IUPAC1-amino-1-(1,3,5-triazin-2-yl)ethanol
SMILESCC(N)(O)c1ncncn1
InChIInChI=1S/C5H8N4O/c1-5(6,10)4-8-2-7-3-9-4/h2-3,10H,6H2,1H3
InChIKeyATPXOBOCXKNXRA-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.00
Rot. Bonds1

About 1-amino-1-(1,3,5-triazin-2-yl)ethanol

1-amino-1-(1,3,5-triazin-2-yl)ethanol (PubChem CID 89466824) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1-amino-1-(1,3,5-triazin-2-yl)ethanol.

Molecular Properties

Compound Name1-amino-1-(1,3,5-triazin-2-yl)ethanol
PubChem CID89466824
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1-amino-1-(1,3,5-triazin-2-yl)ethanol
SMILESCC(N)(O)c1ncncn1
InChIInChI=1S/C5H8N4O/c1-5(6,10)4-8-2-7-3-9-4/h2-3,10H,6H2,1H3
InChIKeyATPXOBOCXKNXRA-UHFFFAOYSA-N
XLogP-1.00
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-amino-1-(1,3,5-triazin-2-yl)ethanol 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 1-amino-1-(1,3,5-triazin-2-yl)ethanol?
The IUPAC name of 1-amino-1-(1,3,5-triazin-2-yl)ethanol (CID 89466824) is 1-amino-1-(1,3,5-triazin-2-yl)ethanol.
What is the SMILES notation for 1-amino-1-(1,3,5-triazin-2-yl)ethanol?
The canonical SMILES for 1-amino-1-(1,3,5-triazin-2-yl)ethanol is CC(N)(O)c1ncncn1.
What is the InChIKey of 1-amino-1-(1,3,5-triazin-2-yl)ethanol?
The InChIKey is ATPXOBOCXKNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-5(6,10)4-8-2-7-3-9-4/h2-3,10H,6H2,1H3.
What are the key properties of 1-amino-1-(1,3,5-triazin-2-yl)ethanol?
1-amino-1-(1,3,5-triazin-2-yl)ethanol has a molecular weight of 140.15 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1,3,5-triazin-2-yl)ethanol is sourced from PubChem (CID 89466824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).