acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine

C11H24N8O4 — CID 159059968

IUPACacetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine
SMILESCC=O.CC=O.CC=O.CC=O.Nc1nc(N)nc(N(N)N)n1
InChIInChI=1S/C3H8N8.4C2H4O/c4-1-8-2(5)10-3(9-1)11(6)7;4*1-2-3/h6-7H2,(H4,4,5,8,9,10);4*2H,1H3
InChIKeyJYILCHYPTHOMJP-UHFFFAOYSA-N
MW332.37 g/mol
LogP-1.59
Rot. Bonds1

About acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine

acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine (PubChem CID 159059968) has the molecular formula C11H24N8O4 and a molecular weight of 332.37 g/mol. Its IUPAC name is acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameacetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine
PubChem CID159059968
Molecular FormulaC11H24N8O4
Molecular Weight332.37 g/mol
Exact Mass332.19
IUPAC Nameacetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine
SMILESCC=O.CC=O.CC=O.CC=O.Nc1nc(N)nc(N(N)N)n1
InChIInChI=1S/C3H8N8.4C2H4O/c4-1-8-2(5)10-3(9-1)11(6)7;4*1-2-3/h6-7H2,(H4,4,5,8,9,10);4*2H,1H3
InChIKeyJYILCHYPTHOMJP-UHFFFAOYSA-N
XLogP-1.59
TPSA214.27 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine (CID 159059968) is acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine is CC=O.CC=O.CC=O.CC=O.Nc1nc(N)nc(N(N)N)n1.
What is the InChIKey of acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JYILCHYPTHOMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N8.4C2H4O/c4-1-8-2(5)10-3(9-1)11(6)7;4*1-2-3/h6-7H2,(H4,4,5,8,9,10);4*2H,1H3.
What are the key properties of acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine?
acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine has a molecular weight of 332.37 g/mol, XLogP of -1.59, 1 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-N,2-N-diamino-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159059968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).