hydron;1,3,5-triazine-2,4,6-tricarbaldehyde

C6H4N3O3+ — CID 174463279

IUPAChydron;1,3,5-triazine-2,4,6-tricarbaldehyde
SMILESO=Cc1nc(C=O)nc(C=O)n1.[H+]
InChIInChI=1S/C6H3N3O3/c10-1-4-7-5(2-11)9-6(3-12)8-4/h1-3H/p+1
InChIKeyNRVHZCZYBNCGHM-UHFFFAOYSA-O
MW166.12 g/mol
LogP-0.58
Rot. Bonds3

About hydron;1,3,5-triazine-2,4,6-tricarbaldehyde

hydron;1,3,5-triazine-2,4,6-tricarbaldehyde (PubChem CID 174463279) has the molecular formula C6H4N3O3+ and a molecular weight of 166.12 g/mol. Its IUPAC name is hydron;1,3,5-triazine-2,4,6-tricarbaldehyde.

Molecular Properties

Compound Namehydron;1,3,5-triazine-2,4,6-tricarbaldehyde
PubChem CID174463279
Molecular FormulaC6H4N3O3+
Molecular Weight166.12 g/mol
Exact Mass166.02
IUPAC Namehydron;1,3,5-triazine-2,4,6-tricarbaldehyde
SMILESO=Cc1nc(C=O)nc(C=O)n1.[H+]
InChIInChI=1S/C6H3N3O3/c10-1-4-7-5(2-11)9-6(3-12)8-4/h1-3H/p+1
InChIKeyNRVHZCZYBNCGHM-UHFFFAOYSA-O
XLogP-0.58
TPSA89.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloropyrimidine-2,4-dicarbaldehyde
CID 175069673
4-tert-butyl-6-methylpyrimidine-2-carbaldehyde
CID 116894351
4-ethyl-6-methylpyrimidine-2-carbaldehyde
CID 116894348
4-amino-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbaldehyde
CID 105432573
4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde
CID 116894392
4-methyl-6-propan-2-yloxypyrimidine-2-carbaldehyde
CID 83875379
triazete-4-carbaldehyde
CID 142772799
4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde
CID 83882637
4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde
CID 105437409
4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde
CID 83874840
4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine-2-carbaldehyde
CID 105449901
5,6-dimethylpyrazine-2,3-dicarbaldehyde
CID 22151767

Frequently Asked Questions

What is the IUPAC name of hydron;1,3,5-triazine-2,4,6-tricarbaldehyde?
The IUPAC name of hydron;1,3,5-triazine-2,4,6-tricarbaldehyde (CID 174463279) is hydron;1,3,5-triazine-2,4,6-tricarbaldehyde.
What is the SMILES notation for hydron;1,3,5-triazine-2,4,6-tricarbaldehyde?
The canonical SMILES for hydron;1,3,5-triazine-2,4,6-tricarbaldehyde is O=Cc1nc(C=O)nc(C=O)n1.[H+].
What is the InChIKey of hydron;1,3,5-triazine-2,4,6-tricarbaldehyde?
The InChIKey is NRVHZCZYBNCGHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H3N3O3/c10-1-4-7-5(2-11)9-6(3-12)8-4/h1-3H/p+1.
What are the key properties of hydron;1,3,5-triazine-2,4,6-tricarbaldehyde?
hydron;1,3,5-triazine-2,4,6-tricarbaldehyde has a molecular weight of 166.12 g/mol, XLogP of -0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1,3,5-triazine-2,4,6-tricarbaldehyde is sourced from PubChem (CID 174463279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).