1-phenylethanone;triazine

C11H11N3O — CID 157268424

IUPAC1-phenylethanone;triazine
SMILESCC(=O)c1ccccc1.c1cnnnc1
InChIInChI=1S/C8H8O.C3H3N3/c1-7(9)8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6H,1H3;1-3H
InChIKeyAYGJQYXPFLSUFH-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.76
Rot. Bonds1

About 1-phenylethanone;triazine

1-phenylethanone;triazine (PubChem CID 157268424) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-phenylethanone;triazine.

Molecular Properties

Compound Name1-phenylethanone;triazine
PubChem CID157268424
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-phenylethanone;triazine
SMILESCC(=O)c1ccccc1.c1cnnnc1
InChIInChI=1S/C8H8O.C3H3N3/c1-7(9)8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6H,1H3;1-3H
InChIKeyAYGJQYXPFLSUFH-UHFFFAOYSA-N
XLogP1.76
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201
1-phenylethanone;hydrate;hydrochloride
CID 21258111
ethane;1-phenylethanone;propan-2-one
CID 91456675
CID 173404741
CID 173404741
ethane;molecular hydrogen;1-phenylethanone
CID 143067772
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
CID 22025249
CID 22025249

Frequently Asked Questions

What is the IUPAC name of 1-phenylethanone;triazine?
The IUPAC name of 1-phenylethanone;triazine (CID 157268424) is 1-phenylethanone;triazine.
What is the SMILES notation for 1-phenylethanone;triazine?
The canonical SMILES for 1-phenylethanone;triazine is CC(=O)c1ccccc1.c1cnnnc1.
What is the InChIKey of 1-phenylethanone;triazine?
The InChIKey is AYGJQYXPFLSUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C3H3N3/c1-7(9)8-5-3-2-4-6-8;1-2-4-6-5-3-1/h2-6H,1H3;1-3H.
What are the key properties of 1-phenylethanone;triazine?
1-phenylethanone;triazine has a molecular weight of 201.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanone;triazine is sourced from PubChem (CID 157268424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).