2,3-dinitropyrazolo[1,5-a]pyrimidine

C6H3N5O4 — CID 3507136

IUPAC2,3-dinitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1nn2cccnc2c1[N+](=O)[O-]
InChIInChI=1S/C6H3N5O4/c12-10(13)4-5-7-2-1-3-9(5)8-6(4)11(14)15/h1-3H
InChIKeyDMHYUMSRQAKROC-UHFFFAOYSA-N
MW209.12 g/mol
LogP0.55
Rot. Bonds2

About 2,3-dinitropyrazolo[1,5-a]pyrimidine

2,3-dinitropyrazolo[1,5-a]pyrimidine (PubChem CID 3507136) has the molecular formula C6H3N5O4 and a molecular weight of 209.12 g/mol. Its IUPAC name is 2,3-dinitropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,3-dinitropyrazolo[1,5-a]pyrimidine
PubChem CID3507136
Molecular FormulaC6H3N5O4
Molecular Weight209.12 g/mol
Exact Mass209.02
IUPAC Name2,3-dinitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1nn2cccnc2c1[N+](=O)[O-]
InChIInChI=1S/C6H3N5O4/c12-10(13)4-5-7-2-1-3-9(5)8-6(4)11(14)15/h1-3H
InChIKeyDMHYUMSRQAKROC-UHFFFAOYSA-N
XLogP0.55
TPSA116.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 50.55
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'}

Analyze 2,3-dinitropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dinitropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,3-dinitropyrazolo[1,5-a]pyrimidine (CID 3507136) is 2,3-dinitropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,3-dinitropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,3-dinitropyrazolo[1,5-a]pyrimidine is O=[N+]([O-])c1nn2cccnc2c1[N+](=O)[O-].
What is the InChIKey of 2,3-dinitropyrazolo[1,5-a]pyrimidine?
The InChIKey is DMHYUMSRQAKROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N5O4/c12-10(13)4-5-7-2-1-3-9(5)8-6(4)11(14)15/h1-3H.
What are the key properties of 2,3-dinitropyrazolo[1,5-a]pyrimidine?
2,3-dinitropyrazolo[1,5-a]pyrimidine has a molecular weight of 209.12 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dinitropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3507136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).