5-(3-nitropyrazol-3-yl)-2H-tetrazole

C4H3N7O2 — CID 175503491

IUPAC5-(3-nitropyrazol-3-yl)-2H-tetrazole
SMILESO=[N+]([O-])C1(c2nn[nH]n2)C=CN=N1
InChIInChI=1S/C4H3N7O2/c12-11(13)4(1-2-5-8-4)3-6-9-10-7-3/h1-2H,(H,6,7,9,10)
InChIKeyOBBOBYZVQRBESC-UHFFFAOYSA-N
MW181.12 g/mol
LogP-0.39
Rot. Bonds2

About 5-(3-nitropyrazol-3-yl)-2H-tetrazole

5-(3-nitropyrazol-3-yl)-2H-tetrazole (PubChem CID 175503491) has the molecular formula C4H3N7O2 and a molecular weight of 181.12 g/mol. Its IUPAC name is 5-(3-nitropyrazol-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-nitropyrazol-3-yl)-2H-tetrazole
PubChem CID175503491
Molecular FormulaC4H3N7O2
Molecular Weight181.12 g/mol
Exact Mass181.03
IUPAC Name5-(3-nitropyrazol-3-yl)-2H-tetrazole
SMILESO=[N+]([O-])C1(c2nn[nH]n2)C=CN=N1
InChIInChI=1S/C4H3N7O2/c12-11(13)4(1-2-5-8-4)3-6-9-10-7-3/h1-2H,(H,6,7,9,10)
InChIKeyOBBOBYZVQRBESC-UHFFFAOYSA-N
XLogP-0.39
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
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-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole
CID 174768061
5-nitro-2H-tetrazole;hydroiodide
CID 159499881
sodium;hydride;5-nitro-2H-tetrazole
CID 173097476
iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate
CID 161287015
1-(2H-tetrazol-5-yl)cyclopentan-1-amine
CID 54594012
1-(2H-tetrazol-5-yl)cyclohexan-1-amine
CID 61149474
1-(2H-tetrazol-5-yl)cyclooctan-1-amine
CID 61150852
CID 173309959
CID 173309959
5-[chloro(dinitro)methyl]-2H-tetrazole
CID 91987213
5-[difluoro(nitro)methyl]-2H-tetrazole
CID 2827682
N-nitro-2H-tetrazole-5-carboxamide
CID 170844684
2,2-bis(2H-tetrazol-5-yl)piperazine
CID 70150155

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitropyrazol-3-yl)-2H-tetrazole?
The IUPAC name of 5-(3-nitropyrazol-3-yl)-2H-tetrazole (CID 175503491) is 5-(3-nitropyrazol-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(3-nitropyrazol-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(3-nitropyrazol-3-yl)-2H-tetrazole is O=[N+]([O-])C1(c2nn[nH]n2)C=CN=N1.
What is the InChIKey of 5-(3-nitropyrazol-3-yl)-2H-tetrazole?
The InChIKey is OBBOBYZVQRBESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N7O2/c12-11(13)4(1-2-5-8-4)3-6-9-10-7-3/h1-2H,(H,6,7,9,10).
What are the key properties of 5-(3-nitropyrazol-3-yl)-2H-tetrazole?
5-(3-nitropyrazol-3-yl)-2H-tetrazole has a molecular weight of 181.12 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitropyrazol-3-yl)-2H-tetrazole is sourced from PubChem (CID 175503491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).