propanal;1,3,5-triazine-2,4,6-triamine

C21H42N6O6 — CID 159401069

IUPACpropanal;1,3,5-triazine-2,4,6-triamine
SMILESCCC=O.CCC=O.CCC=O.CCC=O.CCC=O.CCC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.6C3H6O/c4-1-7-2(5)9-3(6)8-1;6*1-2-3-4/h(H6,4,5,6,7,8,9);6*3H,2H2,1H3
InChIKeyLNIPBWTWXMQUAL-UHFFFAOYSA-N
MW474.60 g/mol
LogP2.19
Rot. Bonds6

About propanal;1,3,5-triazine-2,4,6-triamine

propanal;1,3,5-triazine-2,4,6-triamine (PubChem CID 159401069) has the molecular formula C21H42N6O6 and a molecular weight of 474.60 g/mol. Its IUPAC name is propanal;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namepropanal;1,3,5-triazine-2,4,6-triamine
PubChem CID159401069
Molecular FormulaC21H42N6O6
Molecular Weight474.60 g/mol
Exact Mass474.32
IUPAC Namepropanal;1,3,5-triazine-2,4,6-triamine
SMILESCCC=O.CCC=O.CCC=O.CCC=O.CCC=O.CCC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.6C3H6O/c4-1-7-2(5)9-3(6)8-1;6*1-2-3-4/h(H6,4,5,6,7,8,9);6*3H,2H2,1H3
InChIKeyLNIPBWTWXMQUAL-UHFFFAOYSA-N
XLogP2.19
TPSA219.15 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze propanal;1,3,5-triazine-2,4,6-triamine 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

Acetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 157760702
Butanal;1,3,5-triazine-2,4,6-triamine
CID 158433749
Butanal;1,3,5-triazine-2,4,6-triamine
CID 159216238
Propanal;1,3,5-triazine-2,4,6-triamine
CID 160300368
Pentanal;1,3,5-triazine-2,4,6-triamine
CID 160626555
Acetaldehyde;bis(pentanal);1,3,5-triazine-2,4,6-triamine
CID 160765128
2-Methylpropanal;1,3,5-triazine-2,4,6-triamine
CID 161371102
Oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine
CID 172729988
3-Methylbutanal;1,3,5-triazine-2,4,6-triamine
CID 174622860

Frequently Asked Questions

What is the IUPAC name of propanal;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of propanal;1,3,5-triazine-2,4,6-triamine (CID 159401069) is propanal;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for propanal;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for propanal;1,3,5-triazine-2,4,6-triamine is CCC=O.CCC=O.CCC=O.CCC=O.CCC=O.CCC=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of propanal;1,3,5-triazine-2,4,6-triamine?
The InChIKey is LNIPBWTWXMQUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.6C3H6O/c4-1-7-2(5)9-3(6)8-1;6*1-2-3-4/h(H6,4,5,6,7,8,9);6*3H,2H2,1H3.
What are the key properties of propanal;1,3,5-triazine-2,4,6-triamine?
propanal;1,3,5-triazine-2,4,6-triamine has a molecular weight of 474.60 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for propanal;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159401069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).