1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole

C10H10N4O2 — CID 22493427

IUPAC1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole
SMILESCCn1ncnc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c1-2-13-10(11-7-12-13)8-5-3-4-6-9(8)14(15)16/h3-7H,2H2,1H3
InChIKeyYHFDVGIXYSGPCY-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.87
Rot. Bonds3

About 1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole

1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole (PubChem CID 22493427) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole
PubChem CID22493427
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole
SMILESCCn1ncnc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c1-2-13-10(11-7-12-13)8-5-3-4-6-9(8)14(15)16/h3-7H,2H2,1H3
InChIKeyYHFDVGIXYSGPCY-UHFFFAOYSA-N
XLogP1.87
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde
CID 130529860
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114852
1-ethyl-3-(2-nitrophenyl)pyrazole
CID 22493260
5-bromo-1-ethyl-3-(2-nitrophenyl)pyrazole-4-carbaldehyde
CID 87404717
5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
CID 90142163
4-(2-methylpropyl)-3-(2-nitrophenyl)-1,2,4-triazole
CID 115395672
3-methyl-5-(2-nitrophenyl)-1,2,4-triazole-4-carboxylic acid
CID 174594366
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19561011
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
5-(2-nitrophenyl)-1,2,4-thiadiazole
CID 21271844
1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
CID 91262383

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole (CID 22493427) is 1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole is CCn1ncnc1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole?
The InChIKey is YHFDVGIXYSGPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-2-13-10(11-7-12-13)8-5-3-4-6-9(8)14(15)16/h3-7H,2H2,1H3.
What are the key properties of 1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole?
1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole has a molecular weight of 218.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole is sourced from PubChem (CID 22493427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).