ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate

C19H20N4O3 — CID 101493950

IUPACethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate
SMILESCCOC(=O)N(CC)n1c(-c2ccccc2)nn(-c2ccccc2)c1=O
InChIInChI=1S/C19H20N4O3/c1-3-21(19(25)26-4-2)23-17(15-11-7-5-8-12-15)20-22(18(23)24)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyNNXKCMYRAVPIDB-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.82
Rot. Bonds5

About ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate

ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate (PubChem CID 101493950) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate
PubChem CID101493950
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate
SMILESCCOC(=O)N(CC)n1c(-c2ccccc2)nn(-c2ccccc2)c1=O
InChIInChI=1S/C19H20N4O3/c1-3-21(19(25)26-4-2)23-17(15-11-7-5-8-12-15)20-22(18(23)24)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyNNXKCMYRAVPIDB-UHFFFAOYSA-N
XLogP2.82
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazole
CID 2733187
4,5-Di-phenyl-2-[4-(2-methylpiperidino)-2-butynyl]-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 71495177
4,5-Di-phenyl-2-[4-(3-methylpiperidino)-2-butynyl]-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 76322752
4,5-Di-phenyl-2-[4-(pyrrolidino)-2-butynyl]-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 76329924
2-[4-(2-Acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]-4-amino-5-methyl-1,2,4-triazol-3-one
CID 71495960
methyl 2-(4-methylphenyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 134792094
2-Benzyl-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one
CID 3652186
2-[4-(Azocan-1-yl)but-2-ynyl]-4,5-diphenyl-1,2,4-triazol-3-one
CID 71496723
2-[4-(Azepan-1-yl)but-2-ynyl]-4,5-diphenyl-1,2,4-triazol-3-one
CID 71496724
2-[4-(2,6-Dimethylpiperidin-1-yl)but-2-ynyl]-4,5-diphenyl-1,2,4-triazol-3-one
CID 76315414
4-(4-Fluorophenyl)-2-(2-morpholin-4-ylethyl)-5-phenyl-1,2,4-triazol-3-one
CID 16097270
2-(2-Fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
CID 18385328

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate?
The IUPAC name of ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate (CID 101493950) is ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate.
What is the SMILES notation for ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate?
The canonical SMILES for ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate is CCOC(=O)N(CC)n1c(-c2ccccc2)nn(-c2ccccc2)c1=O.
What is the InChIKey of ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate?
The InChIKey is NNXKCMYRAVPIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-21(19(25)26-4-2)23-17(15-11-7-5-8-12-15)20-22(18(23)24)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate?
ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate has a molecular weight of 352.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethyl-N-(5-oxo-1,3-diphenyl-1,2,4-triazol-4-yl)carbamate is sourced from PubChem (CID 101493950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).