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

C7H14N6O — CID 158433749

IUPACbutanal;1,3,5-triazine-2,4,6-triamine
SMILESCCCC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H8O.C3H6N6/c1-2-3-4-5;4-1-7-2(5)9-3(6)8-1/h4H,2-3H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyHBZARIMJEIZBSD-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.40
Rot. Bonds2

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

butanal;1,3,5-triazine-2,4,6-triamine (PubChem CID 158433749) has the molecular formula C7H14N6O and a molecular weight of 198.23 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 CID158433749
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Namebutanal;1,3,5-triazine-2,4,6-triamine
SMILESCCCC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H8O.C3H6N6/c1-2-3-4-5;4-1-7-2(5)9-3(6)8-1/h4H,2-3H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyHBZARIMJEIZBSD-UHFFFAOYSA-N
XLogP-0.40
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Related Compounds

Melamine glyoxal
CID 19836238
Pentanedial;1,3,5-triazine-2,4,6-triamine
CID 87553436
Acetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 89157509
Formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine
CID 157396052
Acetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 157760702
Oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 158889830
Butanal;1,3,5-triazine-2,4,6-triamine
CID 159216238
Propanal;1,3,5-triazine-2,4,6-triamine
CID 159401069
Formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine
CID 160077978
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

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 158433749) 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.Nc1nc(N)nc(N)n1.
What is the InChIKey of butanal;1,3,5-triazine-2,4,6-triamine?
The InChIKey is HBZARIMJEIZBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6N6/c1-2-3-4-5;4-1-7-2(5)9-3(6)8-1/h4H,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 198.23 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 7 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 158433749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).