4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one

C15H13N5O — CID 2801988

IUPAC4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one
SMILESNc1nc(Nc2ccccc2)n(-c2ccccc2)c(=O)n1
InChIInChI=1S/C15H13N5O/c16-13-18-14(17-11-7-3-1-4-8-11)20(15(21)19-13)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,21)
InChIKeyFQYWKBFQRBNCKL-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.95
Rot. Bonds3

About 4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one

4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one (PubChem CID 2801988) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one
PubChem CID2801988
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one
SMILESNc1nc(Nc2ccccc2)n(-c2ccccc2)c(=O)n1
InChIInChI=1S/C15H13N5O/c16-13-18-14(17-11-7-3-1-4-8-11)20(15(21)19-13)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,21)
InChIKeyFQYWKBFQRBNCKL-UHFFFAOYSA-N
XLogP1.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one (CID 2801988) is 4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one is Nc1nc(Nc2ccccc2)n(-c2ccccc2)c(=O)n1.
What is the InChIKey of 4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one?
The InChIKey is FQYWKBFQRBNCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-13-18-14(17-11-7-3-1-4-8-11)20(15(21)19-13)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,21).
What are the key properties of 4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one?
4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one has a molecular weight of 279.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-anilino-1-phenyl-1,3,5-triazin-2-one is sourced from PubChem (CID 2801988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).