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

C5H8N6O2 — CID 19836238

IUPACoxaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=CC=O
InChIInChI=1S/C3H6N6.C2H2O2/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);1-2H
InChIKeyCWIPUXNYOJYESQ-UHFFFAOYSA-N
MW184.16 g/mol
LogP-2.00
Rot. Bonds1

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

oxaldehyde;1,3,5-triazine-2,4,6-triamine (PubChem CID 19836238) has the molecular formula C5H8N6O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is oxaldehyde;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameoxaldehyde;1,3,5-triazine-2,4,6-triamine
PubChem CID19836238
Molecular FormulaC5H8N6O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Nameoxaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=CC=O
InChIInChI=1S/C3H6N6.C2H2O2/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);1-2H
InChIKeyCWIPUXNYOJYESQ-UHFFFAOYSA-N
XLogP-2.00
TPSA150.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Pentanedial;1,3,5-triazine-2,4,6-triamine
CID 87553436
Ethane-1,2-diol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 156299231
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
CID 19890398
CID 19890398
Ethoxyethane;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 20223160
Ethanol;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 20485953
Oxaldehyde;sulfuric acid;1,3,5-triazine-2,4,6-triamine
CID 88254228
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
Formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 157451642

Frequently Asked Questions

What is the IUPAC name of oxaldehyde;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of oxaldehyde;1,3,5-triazine-2,4,6-triamine (CID 19836238) is oxaldehyde;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for oxaldehyde;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for oxaldehyde;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=CC=O.
What is the InChIKey of oxaldehyde;1,3,5-triazine-2,4,6-triamine?
The InChIKey is CWIPUXNYOJYESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H2O2/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);1-2H.
What are the key properties of oxaldehyde;1,3,5-triazine-2,4,6-triamine?
oxaldehyde;1,3,5-triazine-2,4,6-triamine has a molecular weight of 184.16 g/mol, XLogP of -2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19836238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).