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

C11H22N6O2 — CID 159216238

IUPACbutanal;1,3,5-triazine-2,4,6-triamine
SMILESCCCC=O.CCCC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/2C4H8O.C3H6N6/c2*1-2-3-4-5;4-1-7-2(5)9-3(6)8-1/h2*4H,2-3H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyKRCKDAQWSKPVIQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.59
Rot. Bonds4

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

butanal;1,3,5-triazine-2,4,6-triamine (PubChem CID 159216238) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is butanal;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namebutanal;1,3,5-triazine-2,4,6-triamine
PubChem CID159216238
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Namebutanal;1,3,5-triazine-2,4,6-triamine
SMILESCCCC=O.CCCC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/2C4H8O.C3H6N6/c2*1-2-3-4-5;4-1-7-2(5)9-3(6)8-1/h2*4H,2-3H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyKRCKDAQWSKPVIQ-UHFFFAOYSA-N
XLogP0.59
TPSA150.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze butanal;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

Frequently Asked Questions

What is the IUPAC name of butanal;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of butanal;1,3,5-triazine-2,4,6-triamine (CID 159216238) is butanal;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for butanal;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for butanal;1,3,5-triazine-2,4,6-triamine is CCCC=O.CCCC=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of butanal;1,3,5-triazine-2,4,6-triamine?
The InChIKey is KRCKDAQWSKPVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O.C3H6N6/c2*1-2-3-4-5;4-1-7-2(5)9-3(6)8-1/h2*4H,2-3H2,1H3;(H6,4,5,6,7,8,9).
What are the key properties of butanal;1,3,5-triazine-2,4,6-triamine?
butanal;1,3,5-triazine-2,4,6-triamine has a molecular weight of 270.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159216238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).