5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole

C15H12N4O3 — CID 2366343

IUPAC5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole
SMILESCOc1ccc(-c2cnnn2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H12N4O3/c1-22-14-8-2-11(3-9-14)15-10-16-17-18(15)12-4-6-13(7-5-12)19(20)21/h2-10H,1H3
InChIKeySESNODCCSVPKJF-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.85
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole

5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole (PubChem CID 2366343) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole
PubChem CID2366343
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole
SMILESCOc1ccc(-c2cnnn2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H12N4O3/c1-22-14-8-2-11(3-9-14)15-10-16-17-18(15)12-4-6-13(7-5-12)19(20)21/h2-10H,1H3
InChIKeySESNODCCSVPKJF-UHFFFAOYSA-N
XLogP2.85
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.85
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 5-(4-methoxyphenyl)-1-(4-nitrophenyl)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

4-(4-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11638573
4-(4-Methoxyphenyl)-1-[(4-nitrophenyl)methyl]triazole
CID 24789345
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
[3-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]boronic acid
CID 145960713
[4-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]boronic acid
CID 145962350
2-(4-Methoxyphenyl)-1-methyl-3-nitropyrrole
CID 168282260
1H-1,2,3-Triazole, 1,4-bis(4-methoxyphenyl)-
CID 11694809
1-Benzyl-4-(4-methoxyphenyl)-1h-1,2,3-triazole
CID 25185932
4-(4-Methoxyphenyl)-1-(4-phenoxyphenyl)triazole
CID 11493912
4-[1-(4-Methoxyphenyl)triazol-4-yl]aniline
CID 11514516
4-[4-(4-Methoxyphenyl)triazol-1-yl]aniline;hydrochloride
CID 11702201
4-[5-(3,4-Dimethoxyphenyl)triazol-1-yl]aniline
CID 3241946

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole (CID 2366343) is 5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole is COc1ccc(-c2cnnn2-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole?
The InChIKey is SESNODCCSVPKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-14-8-2-11(3-9-14)15-10-16-17-18(15)12-4-6-13(7-5-12)19(20)21/h2-10H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole?
5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole has a molecular weight of 296.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(4-nitrophenyl)triazole is sourced from PubChem (CID 2366343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).