4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine

C10H12N6O2 — CID 81041163

IUPAC4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(-c2cnccn2)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O2/c1-6(2)8-9(16(17)18)10(11)15(14-8)7-5-12-3-4-13-7/h3-6H,11H2,1-2H3
InChIKeySUDBTHUUXFSZHG-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.28
Rot. Bonds3

About 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine

4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine (PubChem CID 81041163) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine
PubChem CID81041163
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(-c2cnccn2)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O2/c1-6(2)8-9(16(17)18)10(11)15(14-8)7-5-12-3-4-13-7/h3-6H,11H2,1-2H3
InChIKeySUDBTHUUXFSZHG-UHFFFAOYSA-N
XLogP1.28
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.28
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'}

Analyze 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine 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 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine?
The IUPAC name of 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine (CID 81041163) is 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine?
The canonical SMILES for 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine is CC(C)c1nn(-c2cnccn2)c(N)c1[N+](=O)[O-].
What is the InChIKey of 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine?
The InChIKey is SUDBTHUUXFSZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-6(2)8-9(16(17)18)10(11)15(14-8)7-5-12-3-4-13-7/h3-6H,11H2,1-2H3.
What are the key properties of 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine?
4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine has a molecular weight of 248.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine is sourced from PubChem (CID 81041163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).