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

C9H8N4O — CID 135408760

IUPAC4-amino-6-phenyl-1H-1,3,5-triazin-2-one
SMILESNc1nc(-c2ccccc2)[nH]c(=O)n1
InChIInChI=1S/C9H8N4O/c10-8-11-7(12-9(14)13-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)
InChIKeyZBKCUYOBOGCDKC-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.41
Rot. Bonds1

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

4-amino-6-phenyl-1H-1,3,5-triazin-2-one (PubChem CID 135408760) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-amino-6-phenyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-6-phenyl-1H-1,3,5-triazin-2-one
PubChem CID135408760
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name4-amino-6-phenyl-1H-1,3,5-triazin-2-one
SMILESNc1nc(-c2ccccc2)[nH]c(=O)n1
InChIInChI=1S/C9H8N4O/c10-8-11-7(12-9(14)13-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)
InChIKeyZBKCUYOBOGCDKC-UHFFFAOYSA-N
XLogP0.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-phenyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-6-phenyl-1H-1,3,5-triazin-2-one (CID 135408760) is 4-amino-6-phenyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-6-phenyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-6-phenyl-1H-1,3,5-triazin-2-one is Nc1nc(-c2ccccc2)[nH]c(=O)n1.
What is the InChIKey of 4-amino-6-phenyl-1H-1,3,5-triazin-2-one?
The InChIKey is ZBKCUYOBOGCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-8-11-7(12-9(14)13-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14).
What are the key properties of 4-amino-6-phenyl-1H-1,3,5-triazin-2-one?
4-amino-6-phenyl-1H-1,3,5-triazin-2-one has a molecular weight of 188.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-phenyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135408760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).