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

C6H5N5O4 — CID 39434672

IUPAC2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole
SMILESCc1cn2[nH]c([N+](=O)[O-])c([N+](=O)[O-])c2n1
InChIInChI=1S/C6H5N5O4/c1-3-2-9-5(7-3)4(10(12)13)6(8-9)11(14)15/h2,8H,1H3
InChIKeyIFSUSTGQKBHVCG-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.79
Rot. Bonds2

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

2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole (PubChem CID 39434672) has the molecular formula C6H5N5O4 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole
PubChem CID39434672
Molecular FormulaC6H5N5O4
Molecular Weight211.14 g/mol
Exact Mass211.03
IUPAC Name2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole
SMILESCc1cn2[nH]c([N+](=O)[O-])c([N+](=O)[O-])c2n1
InChIInChI=1S/C6H5N5O4/c1-3-2-9-5(7-3)4(10(12)13)6(8-9)11(14)15/h2,8H,1H3
InChIKeyIFSUSTGQKBHVCG-UHFFFAOYSA-N
XLogP0.79
TPSA119.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.79
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 2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole?
The IUPAC name of 2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole (CID 39434672) is 2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole.
What is the SMILES notation for 2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole?
The canonical SMILES for 2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole is Cc1cn2[nH]c([N+](=O)[O-])c([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole?
The InChIKey is IFSUSTGQKBHVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O4/c1-3-2-9-5(7-3)4(10(12)13)6(8-9)11(14)15/h2,8H,1H3.
What are the key properties of 2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole?
2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole has a molecular weight of 211.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dinitro-5H-imidazo[1,2-b]pyrazole is sourced from PubChem (CID 39434672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).