3,4-dinitropyrazole-1,5-diamine

C3H4N6O4 — CID 89295953

IUPAC3,4-dinitropyrazole-1,5-diamine
SMILESNc1c([N+](=O)[O-])c([N+](=O)[O-])nn1N
InChIInChI=1S/C3H4N6O4/c4-2-1(8(10)11)3(9(12)13)6-7(2)5/h4-5H2
InChIKeyDQMWDSJXFNLICU-UHFFFAOYSA-N
MW188.10 g/mol
LogP-1.00
Rot. Bonds2

About 3,4-dinitropyrazole-1,5-diamine

3,4-dinitropyrazole-1,5-diamine (PubChem CID 89295953) has the molecular formula C3H4N6O4 and a molecular weight of 188.10 g/mol. Its IUPAC name is 3,4-dinitropyrazole-1,5-diamine.

Molecular Properties

Compound Name3,4-dinitropyrazole-1,5-diamine
PubChem CID89295953
Molecular FormulaC3H4N6O4
Molecular Weight188.10 g/mol
Exact Mass188.03
IUPAC Name3,4-dinitropyrazole-1,5-diamine
SMILESNc1c([N+](=O)[O-])c([N+](=O)[O-])nn1N
InChIInChI=1S/C3H4N6O4/c4-2-1(8(10)11)3(9(12)13)6-7(2)5/h4-5H2
InChIKeyDQMWDSJXFNLICU-UHFFFAOYSA-N
XLogP-1.00
TPSA156.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 3,4-dinitropyrazole-1,5-diamine?
The IUPAC name of 3,4-dinitropyrazole-1,5-diamine (CID 89295953) is 3,4-dinitropyrazole-1,5-diamine.
What is the SMILES notation for 3,4-dinitropyrazole-1,5-diamine?
The canonical SMILES for 3,4-dinitropyrazole-1,5-diamine is Nc1c([N+](=O)[O-])c([N+](=O)[O-])nn1N.
What is the InChIKey of 3,4-dinitropyrazole-1,5-diamine?
The InChIKey is DQMWDSJXFNLICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N6O4/c4-2-1(8(10)11)3(9(12)13)6-7(2)5/h4-5H2.
What are the key properties of 3,4-dinitropyrazole-1,5-diamine?
3,4-dinitropyrazole-1,5-diamine has a molecular weight of 188.10 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dinitropyrazole-1,5-diamine is sourced from PubChem (CID 89295953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).