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

C5H10N6O — CID 89157509

IUPACacetaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESCC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O/c4-1-7-2(5)9-3(6)8-1;1-2-3/h(H6,4,5,6,7,8,9);2H,1H3
InChIKeyZZFYKGRFSQBFGZ-UHFFFAOYSA-N
MW170.18 g/mol
LogP-1.18
Rot. Bonds

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

acetaldehyde;1,3,5-triazine-2,4,6-triamine (PubChem CID 89157509) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is acetaldehyde;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameacetaldehyde;1,3,5-triazine-2,4,6-triamine
PubChem CID89157509
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC Nameacetaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESCC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O/c4-1-7-2(5)9-3(6)8-1;1-2-3/h(H6,4,5,6,7,8,9);2H,1H3
InChIKeyZZFYKGRFSQBFGZ-UHFFFAOYSA-N
XLogP-1.18
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze acetaldehyde;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

s-Triazine, 4,6-diamino-2-ethoxy-
CID 17802
6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
Melamine glyoxal
CID 19836238
4,6-Diethoxy-1,3,5-triazin-2-amine
CID 35395
4-Ethoxy-6-methoxy-1,3,5-triazin-2-amine
CID 12318225
Ethanol;formaldehyde;methanol;1,3,5-triazine-2,4,6-triamine
CID 19765947
Ethoxyethane;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 20223160
Ethanol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 20485953
Butane;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 20512204
Formaldehyde;methane;1,3,5-triazine-2,4,6-triamine
CID 20569183
2-N-ethoxy-1,3,5-triazine-2,4,6-triamine
CID 21271806
Ethoxyethane;1,3,5-triazine-2,4,6-triamine
CID 22177331

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of acetaldehyde;1,3,5-triazine-2,4,6-triamine (CID 89157509) is acetaldehyde;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for acetaldehyde;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for acetaldehyde;1,3,5-triazine-2,4,6-triamine is CC=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of acetaldehyde;1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZZFYKGRFSQBFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4O/c4-1-7-2(5)9-3(6)8-1;1-2-3/h(H6,4,5,6,7,8,9);2H,1H3.
What are the key properties of acetaldehyde;1,3,5-triazine-2,4,6-triamine?
acetaldehyde;1,3,5-triazine-2,4,6-triamine has a molecular weight of 170.18 g/mol, XLogP of -1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 89157509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).