1-[2-(4-nitrophenoxy)ethyl]triazole

C10H10N4O3 — CID 18516987

IUPAC1-[2-(4-nitrophenoxy)ethyl]triazole
SMILESO=[N+]([O-])c1ccc(OCCn2ccnn2)cc1
InChIInChI=1S/C10H10N4O3/c15-14(16)9-1-3-10(4-2-9)17-8-7-13-6-5-11-12-13/h1-6H,7-8H2
InChIKeyCGFMACBOTAHHKZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.27
Rot. Bonds5

About 1-[2-(4-nitrophenoxy)ethyl]triazole

1-[2-(4-nitrophenoxy)ethyl]triazole (PubChem CID 18516987) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[2-(4-nitrophenoxy)ethyl]triazole.

Molecular Properties

Compound Name1-[2-(4-nitrophenoxy)ethyl]triazole
PubChem CID18516987
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name1-[2-(4-nitrophenoxy)ethyl]triazole
SMILESO=[N+]([O-])c1ccc(OCCn2ccnn2)cc1
InChIInChI=1S/C10H10N4O3/c15-14(16)9-1-3-10(4-2-9)17-8-7-13-6-5-11-12-13/h1-6H,7-8H2
InChIKeyCGFMACBOTAHHKZ-UHFFFAOYSA-N
XLogP1.27
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-(4-nitrophenoxy)ethyl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
4-[4-(triazol-1-yl)butoxy]aniline
CID 143536159
1-[10-(4-nitrophenoxy)decyl]imidazole
CID 13219131
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
1-(4-nitrophenyl)-4-[3-(triazol-1-yl)propyl]piperidine
CID 66584507
2-imidazol-1-yl-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 61462949
1-[3-(4-nitrophenoxy)propyl]pyrrolidine
CID 2232563
3-(4-nitrophenoxy)propanoate
CID 6993075
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
trimethoxy-[3-(4-nitrophenoxy)propyl]silane
CID 70700788
1-[2-(4-nitrophenoxy)ethyl]pyrrolidine;2-pyrrolidin-1-ylethanol
CID 158202191
2-(4-nitrophenoxy)ethyl formate
CID 91696305

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-nitrophenoxy)ethyl]triazole?
The IUPAC name of 1-[2-(4-nitrophenoxy)ethyl]triazole (CID 18516987) is 1-[2-(4-nitrophenoxy)ethyl]triazole.
What is the SMILES notation for 1-[2-(4-nitrophenoxy)ethyl]triazole?
The canonical SMILES for 1-[2-(4-nitrophenoxy)ethyl]triazole is O=[N+]([O-])c1ccc(OCCn2ccnn2)cc1.
What is the InChIKey of 1-[2-(4-nitrophenoxy)ethyl]triazole?
The InChIKey is CGFMACBOTAHHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c15-14(16)9-1-3-10(4-2-9)17-8-7-13-6-5-11-12-13/h1-6H,7-8H2.
What are the key properties of 1-[2-(4-nitrophenoxy)ethyl]triazole?
1-[2-(4-nitrophenoxy)ethyl]triazole has a molecular weight of 234.22 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-nitrophenoxy)ethyl]triazole is sourced from PubChem (CID 18516987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).