6,7-dinitro-5H-imidazo[1,2-b]pyrazole

C5H3N5O4 — CID 3631091

IUPAC6,7-dinitro-5H-imidazo[1,2-b]pyrazole
SMILESO=[N+]([O-])c1[nH]n2ccnc2c1[N+](=O)[O-]
InChIInChI=1S/C5H3N5O4/c11-9(12)3-4-6-1-2-8(4)7-5(3)10(13)14/h1-2,7H
InChIKeyNVEYJUDAQUQZDR-UHFFFAOYSA-N
MW197.11 g/mol
LogP0.48
Rot. Bonds2

About 6,7-dinitro-5H-imidazo[1,2-b]pyrazole

6,7-dinitro-5H-imidazo[1,2-b]pyrazole (PubChem CID 3631091) has the molecular formula C5H3N5O4 and a molecular weight of 197.11 g/mol. Its IUPAC name is 6,7-dinitro-5H-imidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name6,7-dinitro-5H-imidazo[1,2-b]pyrazole
PubChem CID3631091
Molecular FormulaC5H3N5O4
Molecular Weight197.11 g/mol
Exact Mass197.02
IUPAC Name6,7-dinitro-5H-imidazo[1,2-b]pyrazole
SMILESO=[N+]([O-])c1[nH]n2ccnc2c1[N+](=O)[O-]
InChIInChI=1S/C5H3N5O4/c11-9(12)3-4-6-1-2-8(4)7-5(3)10(13)14/h1-2,7H
InChIKeyNVEYJUDAQUQZDR-UHFFFAOYSA-N
XLogP0.48
TPSA119.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 50.48
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6,7-dinitro-5H-imidazo[1,2-b]pyrazole?
The IUPAC name of 6,7-dinitro-5H-imidazo[1,2-b]pyrazole (CID 3631091) is 6,7-dinitro-5H-imidazo[1,2-b]pyrazole.
What is the SMILES notation for 6,7-dinitro-5H-imidazo[1,2-b]pyrazole?
The canonical SMILES for 6,7-dinitro-5H-imidazo[1,2-b]pyrazole is O=[N+]([O-])c1[nH]n2ccnc2c1[N+](=O)[O-].
What is the InChIKey of 6,7-dinitro-5H-imidazo[1,2-b]pyrazole?
The InChIKey is NVEYJUDAQUQZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5O4/c11-9(12)3-4-6-1-2-8(4)7-5(3)10(13)14/h1-2,7H.
What are the key properties of 6,7-dinitro-5H-imidazo[1,2-b]pyrazole?
6,7-dinitro-5H-imidazo[1,2-b]pyrazole has a molecular weight of 197.11 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dinitro-5H-imidazo[1,2-b]pyrazole is sourced from PubChem (CID 3631091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).