2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde

C10H9N5O — CID 22507462

IUPAC2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde
SMILESNc1nc(N)nc(-c2ccccc2C=O)n1
InChIInChI=1S/C10H9N5O/c11-9-13-8(14-10(12)15-9)7-4-2-1-3-6(7)5-16/h1-5H,(H4,11,12,13,14,15)
InChIKeySAGQMEPFJAEKOB-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.52
Rot. Bonds2

About 2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde

2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde (PubChem CID 22507462) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde
PubChem CID22507462
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde
SMILESNc1nc(N)nc(-c2ccccc2C=O)n1
InChIInChI=1S/C10H9N5O/c11-9-13-8(14-10(12)15-9)7-4-2-1-3-6(7)5-16/h1-5H,(H4,11,12,13,14,15)
InChIKeySAGQMEPFJAEKOB-UHFFFAOYSA-N
XLogP0.52
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde?
The IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde (CID 22507462) is 2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde.
What is the SMILES notation for 2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde?
The canonical SMILES for 2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde is Nc1nc(N)nc(-c2ccccc2C=O)n1.
What is the InChIKey of 2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde?
The InChIKey is SAGQMEPFJAEKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-9-13-8(14-10(12)15-9)7-4-2-1-3-6(7)5-16/h1-5H,(H4,11,12,13,14,15).
What are the key properties of 2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde?
2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde has a molecular weight of 215.22 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diamino-1,3,5-triazin-2-yl)benzaldehyde is sourced from PubChem (CID 22507462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).