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

C12H13N3O — CID 156780121

IUPAC4-phenyl-6-propyl-1H-1,3,5-triazin-2-one
SMILESCCCc1nc(-c2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C12H13N3O/c1-2-6-10-13-11(15-12(16)14-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14,15,16)
InChIKeyXWCALIUTUMNPRQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.78
Rot. Bonds3

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

4-phenyl-6-propyl-1H-1,3,5-triazin-2-one (PubChem CID 156780121) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-phenyl-6-propyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-phenyl-6-propyl-1H-1,3,5-triazin-2-one
PubChem CID156780121
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-phenyl-6-propyl-1H-1,3,5-triazin-2-one
SMILESCCCc1nc(-c2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C12H13N3O/c1-2-6-10-13-11(15-12(16)14-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14,15,16)
InChIKeyXWCALIUTUMNPRQ-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one
CID 135552035
4,6-diphenyl-1H-1,3,5-triazin-2-one
CID 135427225
but-2-yne;ethane;6-methyl-4-phenyl-1H-1,3,5-triazin-2-one
CID 162031267
6-(4-hydroxyphenyl)-4-phenyl-1H-1,3,5-triazin-2-one
CID 156780127
4,6-dichloro-2-phenyl-5-propylpyrimidine
CID 46705663
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764378
2-butyl-4,5-diphenyl-1H-imidazole
CID 14710025
4-butyl-5,6-dimethyl-2-phenylpyrimidine
CID 138967628
2-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one
CID 110181275
2-(4,6-diethyl-2-phenylpyrimidin-5-yl)-N-ethylethanamine
CID 79218247

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-propyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-phenyl-6-propyl-1H-1,3,5-triazin-2-one (CID 156780121) is 4-phenyl-6-propyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-phenyl-6-propyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-phenyl-6-propyl-1H-1,3,5-triazin-2-one is CCCc1nc(-c2ccccc2)nc(=O)[nH]1.
What is the InChIKey of 4-phenyl-6-propyl-1H-1,3,5-triazin-2-one?
The InChIKey is XWCALIUTUMNPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-6-10-13-11(15-12(16)14-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14,15,16).
What are the key properties of 4-phenyl-6-propyl-1H-1,3,5-triazin-2-one?
4-phenyl-6-propyl-1H-1,3,5-triazin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-propyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 156780121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).