4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one

C11H12N4O — CID 136883787

IUPAC4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one
SMILESCC(c1ccccc1)c1nc(N)nc(=O)[nH]1
InChIInChI=1S/C11H12N4O/c1-7(8-5-3-2-4-6-8)9-13-10(12)15-11(16)14-9/h2-7H,1H3,(H3,12,13,14,15,16)
InChIKeyJOKHHFBMRKIMKY-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.90
Rot. Bonds2

About 4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one

4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one (PubChem CID 136883787) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one
PubChem CID136883787
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one
SMILESCC(c1ccccc1)c1nc(N)nc(=O)[nH]1
InChIInChI=1S/C11H12N4O/c1-7(8-5-3-2-4-6-8)9-13-10(12)15-11(16)14-9/h2-7H,1H3,(H3,12,13,14,15,16)
InChIKeyJOKHHFBMRKIMKY-UHFFFAOYSA-N
XLogP0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one (CID 136883787) is 4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one is CC(c1ccccc1)c1nc(N)nc(=O)[nH]1.
What is the InChIKey of 4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one?
The InChIKey is JOKHHFBMRKIMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7(8-5-3-2-4-6-8)9-13-10(12)15-11(16)14-9/h2-7H,1H3,(H3,12,13,14,15,16).
What are the key properties of 4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one?
4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one has a molecular weight of 216.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 136883787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).