5-(4-nitrophenyl)-5H-tetrazole

C7H5N5O2 — CID 174394321

IUPAC5-(4-nitrophenyl)-5H-tetrazole
SMILESO=[N+]([O-])c1ccc(C2N=NN=N2)cc1
InChIInChI=1S/C7H5N5O2/c13-12(14)6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4,7H
InChIKeyLPQSYWUBLJWDAN-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.43
Rot. Bonds2

About 5-(4-nitrophenyl)-5H-tetrazole

5-(4-nitrophenyl)-5H-tetrazole (PubChem CID 174394321) has the molecular formula C7H5N5O2 and a molecular weight of 191.15 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-5H-tetrazole.

Molecular Properties

Compound Name5-(4-nitrophenyl)-5H-tetrazole
PubChem CID174394321
Molecular FormulaC7H5N5O2
Molecular Weight191.15 g/mol
Exact Mass191.04
IUPAC Name5-(4-nitrophenyl)-5H-tetrazole
SMILESO=[N+]([O-])c1ccc(C2N=NN=N2)cc1
InChIInChI=1S/C7H5N5O2/c13-12(14)6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4,7H
InChIKeyLPQSYWUBLJWDAN-UHFFFAOYSA-N
XLogP2.43
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.43
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

1-cyclopenta-2,4-dien-1-yl-4-nitrobenzene
CID 627934
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
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CID 59711141
CID 59711141
4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one
CID 67815214
5-(4-bromophenyl)-5H-tetrazole
CID 174899886
4-nitropyridine;hydrate
CID 132647818
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
4-(4-nitrophenyl)pyrrolidine-2,3,5-trione
CID 117060490
1,2,2-trimethyl-3-(4-nitrophenyl)aziridine
CID 162398179
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
2,3,5,5-tetramethyl-6-(4-nitrophenyl)cyclohex-2-en-1-one
CID 54572172
2-(4-nitrophenyl)-1,3-benzodioxole
CID 53305093

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-5H-tetrazole?
The IUPAC name of 5-(4-nitrophenyl)-5H-tetrazole (CID 174394321) is 5-(4-nitrophenyl)-5H-tetrazole.
What is the SMILES notation for 5-(4-nitrophenyl)-5H-tetrazole?
The canonical SMILES for 5-(4-nitrophenyl)-5H-tetrazole is O=[N+]([O-])c1ccc(C2N=NN=N2)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-5H-tetrazole?
The InChIKey is LPQSYWUBLJWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O2/c13-12(14)6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4,7H.
What are the key properties of 5-(4-nitrophenyl)-5H-tetrazole?
5-(4-nitrophenyl)-5H-tetrazole has a molecular weight of 191.15 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-5H-tetrazole is sourced from PubChem (CID 174394321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).