4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one

C10H12N4O — CID 12867814

IUPAC4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one
SMILESCCc1nn(-c2ccccc2)c(=O)n1N
InChIInChI=1S/C10H12N4O/c1-2-9-12-14(10(15)13(9)11)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3
InChIKeyFGQGIVWRZBFHDX-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.31
Rot. Bonds2

About 4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one

4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one (PubChem CID 12867814) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one
PubChem CID12867814
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one
SMILESCCc1nn(-c2ccccc2)c(=O)n1N
InChIInChI=1S/C10H12N4O/c1-2-9-12-14(10(15)13(9)11)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3
InChIKeyFGQGIVWRZBFHDX-UHFFFAOYSA-N
XLogP0.31
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxamide
CID 175811093
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
3-ethyl-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-imine
CID 11557899
6-bromo-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione
CID 90278238
4-[(5-oxo-1-phenyl-1,2,4-triazol-4-yl)methyl]-2-phenyl-1,2,4-triazol-3-one
CID 155806253
5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557981
5-ethyl-1-phenylpyrazole-3-carbaldehyde
CID 115021958
N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide
CID 132596066
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
1-(2-aminobutyl)-4-phenyltetrazol-5-one
CID 23607800
6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid
CID 70472952
N-(2-aminoethyl)-5-ethyl-1-phenyl-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 120886952

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one (CID 12867814) is 4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one is CCc1nn(-c2ccccc2)c(=O)n1N.
What is the InChIKey of 4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one?
The InChIKey is FGQGIVWRZBFHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-9-12-14(10(15)13(9)11)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3.
What are the key properties of 4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one?
4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-2-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 12867814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).