6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione

C17H19N5O3 — CID 50950566

IUPAC6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1nc(CC(C)C)nc1-c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C17H19N5O3/c1-10(2)8-14-19-16(11-9-15(23)20-17(24)18-11)22(21-14)12-6-4-5-7-13(12)25-3/h4-7,9-10H,8H2,1-3H3,(H2,18,20,23,24)
InChIKeyUQSBTJSWJSVJPG-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.52
Rot. Bonds5

About 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione

6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 50950566) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID50950566
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1nc(CC(C)C)nc1-c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C17H19N5O3/c1-10(2)8-14-19-16(11-9-15(23)20-17(24)18-11)22(21-14)12-6-4-5-7-13(12)25-3/h4-7,9-10H,8H2,1-3H3,(H2,18,20,23,24)
InChIKeyUQSBTJSWJSVJPG-UHFFFAOYSA-N
XLogP1.52
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
CID 50961121
3-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 50955479
3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one
CID 50983362
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole
CID 95122009
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(oxolan-3-yl)-1,2,4-triazole
CID 50979759
5-[2-(2-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-1-methylpyrimidine-2,4-dione
CID 72853213
1-(2-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 5007963
1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole
CID 50973008
1-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 12596963
3-(chloromethyl)-1-(2-methoxyphenyl)-5-methylpyrazole
CID 82129618
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135465183
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione (CID 50950566) is 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione is COc1ccccc1-n1nc(CC(C)C)nc1-c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is UQSBTJSWJSVJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10(2)8-14-19-16(11-9-15(23)20-17(24)18-11)22(21-14)12-6-4-5-7-13(12)25-3/h4-7,9-10H,8H2,1-3H3,(H2,18,20,23,24).
What are the key properties of 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione?
6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 341.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 50950566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).