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

C9H8N4O — CID 19801773

IUPAC4-amino-6-phenyl-1,2,4-triazin-3-one
SMILESNn1cc(-c2ccccc2)nnc1=O
InChIInChI=1S/C9H8N4O/c10-13-6-8(11-12-9(13)14)7-4-2-1-3-5-7/h1-6H,10H2
InChIKeyHHEJUPRAQSFKOV-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.02
Rot. Bonds1

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

4-amino-6-phenyl-1,2,4-triazin-3-one (PubChem CID 19801773) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-amino-6-phenyl-1,2,4-triazin-3-one.

Molecular Properties

Compound Name4-amino-6-phenyl-1,2,4-triazin-3-one
PubChem CID19801773
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name4-amino-6-phenyl-1,2,4-triazin-3-one
SMILESNn1cc(-c2ccccc2)nnc1=O
InChIInChI=1S/C9H8N4O/c10-13-6-8(11-12-9(13)14)7-4-2-1-3-5-7/h1-6H,10H2
InChIKeyHHEJUPRAQSFKOV-UHFFFAOYSA-N
XLogP0.02
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2,5-dioxo-3,4-diphenylpyrrole-1-carboxamide
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3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-phenyl-1,2,4-triazin-3-one?
The IUPAC name of 4-amino-6-phenyl-1,2,4-triazin-3-one (CID 19801773) is 4-amino-6-phenyl-1,2,4-triazin-3-one.
What is the SMILES notation for 4-amino-6-phenyl-1,2,4-triazin-3-one?
The canonical SMILES for 4-amino-6-phenyl-1,2,4-triazin-3-one is Nn1cc(-c2ccccc2)nnc1=O.
What is the InChIKey of 4-amino-6-phenyl-1,2,4-triazin-3-one?
The InChIKey is HHEJUPRAQSFKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-13-6-8(11-12-9(13)14)7-4-2-1-3-5-7/h1-6H,10H2.
What are the key properties of 4-amino-6-phenyl-1,2,4-triazin-3-one?
4-amino-6-phenyl-1,2,4-triazin-3-one has a molecular weight of 188.19 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-phenyl-1,2,4-triazin-3-one is sourced from PubChem (CID 19801773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).