4,6-dianilino-1H-1,3,5-triazin-2-one

C15H13N5O — CID 135450736

IUPAC4,6-dianilino-1H-1,3,5-triazin-2-one
SMILESO=c1nc(Nc2ccccc2)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C15H13N5O/c21-15-19-13(16-11-7-3-1-4-8-11)18-14(20-15)17-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21)
InChIKeyRQCPXGXHVGRCQZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.65
Rot. Bonds4

About 4,6-dianilino-1H-1,3,5-triazin-2-one

4,6-dianilino-1H-1,3,5-triazin-2-one (PubChem CID 135450736) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 4,6-dianilino-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4,6-dianilino-1H-1,3,5-triazin-2-one
PubChem CID135450736
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name4,6-dianilino-1H-1,3,5-triazin-2-one
SMILESO=c1nc(Nc2ccccc2)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C15H13N5O/c21-15-19-13(16-11-7-3-1-4-8-11)18-14(20-15)17-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21)
InChIKeyRQCPXGXHVGRCQZ-UHFFFAOYSA-N
XLogP2.65
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dianilino-1H-1,3,5-triazin-2-one?
The IUPAC name of 4,6-dianilino-1H-1,3,5-triazin-2-one (CID 135450736) is 4,6-dianilino-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4,6-dianilino-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4,6-dianilino-1H-1,3,5-triazin-2-one is O=c1nc(Nc2ccccc2)nc(Nc2ccccc2)[nH]1.
What is the InChIKey of 4,6-dianilino-1H-1,3,5-triazin-2-one?
The InChIKey is RQCPXGXHVGRCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c21-15-19-13(16-11-7-3-1-4-8-11)18-14(20-15)17-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21).
What are the key properties of 4,6-dianilino-1H-1,3,5-triazin-2-one?
4,6-dianilino-1H-1,3,5-triazin-2-one has a molecular weight of 279.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dianilino-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135450736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).