1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole

C15H12N4O3 — CID 122190583

IUPAC1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole
SMILESCOc1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)nn2)c1
InChIInChI=1S/C15H12N4O3/c1-22-14-7-3-5-12(9-14)18-10-15(16-17-18)11-4-2-6-13(8-11)19(20)21/h2-10H,1H3
InChIKeyOGJCEWRZXPLSDG-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.85
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole

1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole (PubChem CID 122190583) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole
PubChem CID122190583
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole
SMILESCOc1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)nn2)c1
InChIInChI=1S/C15H12N4O3/c1-22-14-7-3-5-12(9-14)18-10-15(16-17-18)11-4-2-6-13(8-11)19(20)21/h2-10H,1H3
InChIKeyOGJCEWRZXPLSDG-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'}

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Related Compounds

4-(4-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11638573
4-(4-Methoxyphenyl)-1-[(4-nitrophenyl)methyl]triazole
CID 24789345
5-(4-Methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)triazole
CID 44585276
N-[3-[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide
CID 46179730
1H-1,2,3-Triazole, 1,4-bis(4-methoxyphenyl)-
CID 11694809
5-(4-Methoxyphenyl)-1-(4-nitrophenyl)triazole
CID 2366343
1-benzyl-4-((4-nitrophenoxy)methyl)-1H-1,2,3-triazole
CID 56664989
1-Benzyl-4-(4-methoxyphenyl)-1h-1,2,3-triazole
CID 25185932
4-[1-(4-Methoxyphenyl)triazol-4-yl]aniline
CID 11514516
4-[4-(4-Methoxyphenyl)triazol-1-yl]aniline;hydrochloride
CID 11702201
1-[(4-Tert-butylphenyl)methyl]-4-(4-methoxy-2-nitrophenyl)triazole
CID 162644321
1-(4-Methoxyphenyl)-5-methyl-4-(4-nitrophenyl)triazole
CID 118737667

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole?
The IUPAC name of 1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole (CID 122190583) is 1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole is COc1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)nn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole?
The InChIKey is OGJCEWRZXPLSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-14-7-3-5-12(9-14)18-10-15(16-17-18)11-4-2-6-13(8-11)19(20)21/h2-10H,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole?
1-(3-methoxyphenyl)-4-(3-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 1-(3-methoxyphenyl)-4-(3-nitrophenyl)triazole is sourced from PubChem (CID 122190583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).