5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole

C14H10N6O5 — CID 90683206

IUPAC5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole
SMILESO=[N+]([O-])c1cc(COc2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N6O5/c21-19(22)12-6-10(7-13(8-12)20(23)24)9-25-14-15-16-17-18(14)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyQQUBDEBZTGCNAU-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.06
Rot. Bonds6

About 5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole

5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole (PubChem CID 90683206) has the molecular formula C14H10N6O5 and a molecular weight of 342.27 g/mol. Its IUPAC name is 5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole
PubChem CID90683206
Molecular FormulaC14H10N6O5
Molecular Weight342.27 g/mol
Exact Mass342.07
IUPAC Name5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole
SMILESO=[N+]([O-])c1cc(COc2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N6O5/c21-19(22)12-6-10(7-13(8-12)20(23)24)9-25-14-15-16-17-18(14)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyQQUBDEBZTGCNAU-UHFFFAOYSA-N
XLogP2.06
TPSA139.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

5-[(3,5-Dinitrophenyl)methoxy]-1-(4-nitrophenyl)tetrazole
CID 90683038
5-[(3,5-Dinitrophenyl)methylselanyl]-1-(4-methoxyphenyl)tetrazole
CID 90683240
5-[(3,5-Dinitrophenyl)methylselanyl]-1-phenyl-tetrazole
CID 90683072
5-[(3,5-Dinitrophenyl)methoxy]-1-(4-methoxyphenyl)tetrazole
CID 90683207
1-(4-Bromophenyl)-5-[(3,5-dinitrophenyl)methoxy]tetrazole
CID 90683209
1-(4-Chlorophenyl)-5-[(3,5-dinitrophenyl)methoxy]tetrazole
CID 90683210
1-(3,4-Dichlorophenyl)-5-[(3,5-dinitrophenyl)methoxy]tetrazole
CID 90683211
5-[(3,5-Dinitrophenyl)methoxy]-1-(3-nitrophenyl)tetrazole
CID 90683460
5-[(3,5-Dinitrophenyl)methoxy]-1-(2-nitrophenyl)tetrazole
CID 90683459
5-benzyloxy-1[H]-phenyltetrazole
CID 5082830
1-(4-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]tetrazole
CID 10519933
5-[(E)-3-(4-nitrophenyl)prop-2-enoxy]-1-phenyltetrazole
CID 10782144

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole?
The IUPAC name of 5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole (CID 90683206) is 5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole.
What is the SMILES notation for 5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole?
The canonical SMILES for 5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole is O=[N+]([O-])c1cc(COc2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole?
The InChIKey is QQUBDEBZTGCNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O5/c21-19(22)12-6-10(7-13(8-12)20(23)24)9-25-14-15-16-17-18(14)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole?
5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole has a molecular weight of 342.27 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dinitrophenyl)methoxy]-1-phenyltetrazole is sourced from PubChem (CID 90683206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).