5-(3-nitrophenoxy)-1-phenyltetrazole

C13H9N5O3 — CID 2833287

IUPAC5-(3-nitrophenoxy)-1-phenyltetrazole
SMILESO=[N+]([O-])c1cccc(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C13H9N5O3/c19-18(20)11-7-4-8-12(9-11)21-13-14-15-16-17(13)10-5-2-1-3-6-10/h1-9H
InChIKeyQZJTYTSDSLYLIN-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.36
Rot. Bonds4

About 5-(3-nitrophenoxy)-1-phenyltetrazole

5-(3-nitrophenoxy)-1-phenyltetrazole (PubChem CID 2833287) has the molecular formula C13H9N5O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 5-(3-nitrophenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(3-nitrophenoxy)-1-phenyltetrazole
PubChem CID2833287
Molecular FormulaC13H9N5O3
Molecular Weight283.25 g/mol
Exact Mass283.07
IUPAC Name5-(3-nitrophenoxy)-1-phenyltetrazole
SMILESO=[N+]([O-])c1cccc(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C13H9N5O3/c19-18(20)11-7-4-8-12(9-11)21-13-14-15-16-17(13)10-5-2-1-3-6-10/h1-9H
InChIKeyQZJTYTSDSLYLIN-UHFFFAOYSA-N
XLogP2.36
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methyl-2-(3-nitrophenyl)-4-(1-phenyltetrazol-5-yl)oxy-1H-pyrazol-3-one
CID 123277526
N'-(4-nitrophenyl)-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethane-1,2-diamine
CID 17212362
5-[(3-nitrophenyl)methylsulfonyl]-1-phenyltetrazole
CID 146319143
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole
CID 8565211
(1-phenyltetrazol-5-yl)methyl 3-nitrobenzoate
CID 27687882
5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole
CID 107724421
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
1-phenyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206239
3-bromo-5-(1-phenyltetrazol-5-yl)oxyaniline
CID 103589118
N',N'-diethyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17216139
N-[(3-nitrophenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17333301

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(3-nitrophenoxy)-1-phenyltetrazole (CID 2833287) is 5-(3-nitrophenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(3-nitrophenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(3-nitrophenoxy)-1-phenyltetrazole is O=[N+]([O-])c1cccc(Oc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 5-(3-nitrophenoxy)-1-phenyltetrazole?
The InChIKey is QZJTYTSDSLYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O3/c19-18(20)11-7-4-8-12(9-11)21-13-14-15-16-17(13)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 5-(3-nitrophenoxy)-1-phenyltetrazole?
5-(3-nitrophenoxy)-1-phenyltetrazole has a molecular weight of 283.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenoxy)-1-phenyltetrazole is sourced from PubChem (CID 2833287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).