3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one

C11H12N4O — CID 135476903

IUPAC3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one
SMILESCC(Nc1nncc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C11H12N4O/c1-8(9-5-3-2-4-6-9)13-11-14-10(16)7-12-15-11/h2-8H,1H3,(H2,13,14,15,16)
InChIKeyJZWPJIQUIIEAPO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.34
Rot. Bonds3

About 3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one

3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135476903) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one
PubChem CID135476903
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one
SMILESCC(Nc1nncc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C11H12N4O/c1-8(9-5-3-2-4-6-9)13-11-14-10(16)7-12-15-11/h2-8H,1H3,(H2,13,14,15,16)
InChIKeyJZWPJIQUIIEAPO-UHFFFAOYSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one (CID 135476903) is 3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one is CC(Nc1nncc(=O)[nH]1)c1ccccc1.
What is the InChIKey of 3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is JZWPJIQUIIEAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8(9-5-3-2-4-6-9)13-11-14-10(16)7-12-15-11/h2-8H,1H3,(H2,13,14,15,16).
What are the key properties of 3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one?
3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 216.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135476903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).