oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine

C10H16N6O4 — CID 172729988

IUPACoxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=CC=O.O=CCCCC=O
InChIInChI=1S/C5H8O2.C3H6N6.C2H2O2/c6-4-2-1-3-5-7;4-1-7-2(5)9-3(6)8-1;3-1-2-4/h4-5H,1-3H2;(H6,4,5,6,7,8,9);1-2H
InChIKeyHQWMFRCZZMHQFJ-UHFFFAOYSA-N
MW284.28 g/mol
LogP-1.44
Rot. Bonds5

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

oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine (PubChem CID 172729988) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameoxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine
PubChem CID172729988
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Nameoxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=CC=O.O=CCCCC=O
InChIInChI=1S/C5H8O2.C3H6N6.C2H2O2/c6-4-2-1-3-5-7;4-1-7-2(5)9-3(6)8-1;3-1-2-4/h4-5H,1-3H2;(H6,4,5,6,7,8,9);1-2H
InChIKeyHQWMFRCZZMHQFJ-UHFFFAOYSA-N
XLogP-1.44
TPSA185.01 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze oxaldehyde;pentanedial;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

guanidine;pentanedial;thiourea;1,3,5-triazine-2,4,6-triamine
CID 162108301
hydrazine;pentanedial
CID 19882033
hydron;pentanedial
CID 87858118
pentanedial;silane
CID 173075190
1,3,5-triazine-2,4,6-triamine
CID 22011128
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
cyanamide;pentanedial
CID 174727970
methanamine;methoxymethane;pentanedial
CID 143705104
pentadecanedial
CID 22887412
CID 158808778
CID 158808778
(E)-hept-2-enedial
CID 5283323

Frequently Asked Questions

What is the IUPAC name of oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine (CID 172729988) is oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=CC=O.O=CCCCC=O.
What is the InChIKey of oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine?
The InChIKey is HQWMFRCZZMHQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C3H6N6.C2H2O2/c6-4-2-1-3-5-7;4-1-7-2(5)9-3(6)8-1;3-1-2-4/h4-5H,1-3H2;(H6,4,5,6,7,8,9);1-2H.
What are the key properties of oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine?
oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine has a molecular weight of 284.28 g/mol, XLogP of -1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde;pentanedial;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 172729988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).