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

C8H16N6O — CID 160626555

IUPACpentanal;1,3,5-triazine-2,4,6-triamine
SMILESCCCCC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H10O.C3H6N6/c1-2-3-4-5-6;4-1-7-2(5)9-3(6)8-1/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyRHJKPKWQLIAFLC-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.01
Rot. Bonds3

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

pentanal;1,3,5-triazine-2,4,6-triamine (PubChem CID 160626555) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is pentanal;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namepentanal;1,3,5-triazine-2,4,6-triamine
PubChem CID160626555
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Namepentanal;1,3,5-triazine-2,4,6-triamine
SMILESCCCCC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H10O.C3H6N6/c1-2-3-4-5-6;4-1-7-2(5)9-3(6)8-1/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9)
InChIKeyRHJKPKWQLIAFLC-UHFFFAOYSA-N
XLogP-0.01
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Pentanedial;1,3,5-triazine-2,4,6-triamine
CID 87553436
Acetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 89157509
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 159401069
Propanal;1,3,5-triazine-2,4,6-triamine
CID 160300368
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
4-Methyl-2-oxopentanal;1,3,5-triazine-2,4,6-triamine
CID 175295242

Frequently Asked Questions

What is the IUPAC name of pentanal;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of pentanal;1,3,5-triazine-2,4,6-triamine (CID 160626555) is pentanal;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for pentanal;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for pentanal;1,3,5-triazine-2,4,6-triamine is CCCCC=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of pentanal;1,3,5-triazine-2,4,6-triamine?
The InChIKey is RHJKPKWQLIAFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C3H6N6/c1-2-3-4-5-6;4-1-7-2(5)9-3(6)8-1/h5H,2-4H2,1H3;(H6,4,5,6,7,8,9).
What are the key properties of pentanal;1,3,5-triazine-2,4,6-triamine?
pentanal;1,3,5-triazine-2,4,6-triamine has a molecular weight of 212.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pentanal;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 160626555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).