3-azido-4-nitro-1,2-dihydropyrazol-3-amine

C3H5N7O2 — CID 174732647

IUPAC3-azido-4-nitro-1,2-dihydropyrazol-3-amine
SMILES[N-]=[N+]=NC1(N)NNC=C1[N+](=O)[O-]
InChIInChI=1S/C3H5N7O2/c4-3(8-9-5)2(10(11)12)1-6-7-3/h1,6-7H,4H2
InChIKeyWTTIMUIPXGZWSY-UHFFFAOYSA-N
MW171.12 g/mol
LogP-0.86
Rot. Bonds2

About 3-azido-4-nitro-1,2-dihydropyrazol-3-amine

3-azido-4-nitro-1,2-dihydropyrazol-3-amine (PubChem CID 174732647) has the molecular formula C3H5N7O2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 3-azido-4-nitro-1,2-dihydropyrazol-3-amine.

Molecular Properties

Compound Name3-azido-4-nitro-1,2-dihydropyrazol-3-amine
PubChem CID174732647
Molecular FormulaC3H5N7O2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name3-azido-4-nitro-1,2-dihydropyrazol-3-amine
SMILES[N-]=[N+]=NC1(N)NNC=C1[N+](=O)[O-]
InChIInChI=1S/C3H5N7O2/c4-3(8-9-5)2(10(11)12)1-6-7-3/h1,6-7H,4H2
InChIKeyWTTIMUIPXGZWSY-UHFFFAOYSA-N
XLogP-0.86
TPSA141.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-azido-4-nitro-1,2-dihydropyrazol-3-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 3-azido-4-nitro-1,2-dihydropyrazol-3-amine?
The IUPAC name of 3-azido-4-nitro-1,2-dihydropyrazol-3-amine (CID 174732647) is 3-azido-4-nitro-1,2-dihydropyrazol-3-amine.
What is the SMILES notation for 3-azido-4-nitro-1,2-dihydropyrazol-3-amine?
The canonical SMILES for 3-azido-4-nitro-1,2-dihydropyrazol-3-amine is [N-]=[N+]=NC1(N)NNC=C1[N+](=O)[O-].
What is the InChIKey of 3-azido-4-nitro-1,2-dihydropyrazol-3-amine?
The InChIKey is WTTIMUIPXGZWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N7O2/c4-3(8-9-5)2(10(11)12)1-6-7-3/h1,6-7H,4H2.
What are the key properties of 3-azido-4-nitro-1,2-dihydropyrazol-3-amine?
3-azido-4-nitro-1,2-dihydropyrazol-3-amine has a molecular weight of 171.12 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-nitro-1,2-dihydropyrazol-3-amine is sourced from PubChem (CID 174732647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).