2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine

C7H3N9O4 — CID 135016071

IUPAC2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine
SMILES[N-]=[N+]=Nc1nccnc1-n1cc([N+](=O)[O-])c([N+](=O)[O-])n1
InChIInChI=1S/C7H3N9O4/c8-13-11-5-7(10-2-1-9-5)14-3-4(15(17)18)6(12-14)16(19)20/h1-3H
InChIKeyJMMCHSVBJKFZDM-UHFFFAOYSA-N
MW277.16 g/mol
LogP1.42
Rot. Bonds4

About 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine

2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine (PubChem CID 135016071) has the molecular formula C7H3N9O4 and a molecular weight of 277.16 g/mol. Its IUPAC name is 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine
PubChem CID135016071
Molecular FormulaC7H3N9O4
Molecular Weight277.16 g/mol
Exact Mass277.03
IUPAC Name2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine
SMILES[N-]=[N+]=Nc1nccnc1-n1cc([N+](=O)[O-])c([N+](=O)[O-])n1
InChIInChI=1S/C7H3N9O4/c8-13-11-5-7(10-2-1-9-5)14-3-4(15(17)18)6(12-14)16(19)20/h1-3H
InChIKeyJMMCHSVBJKFZDM-UHFFFAOYSA-N
XLogP1.42
TPSA178.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

6-Bromo-3-nitropyrazolo[1,5-a]pyrimidine
CID 1276705
6-Nitropyrazolo[1,5-a]pyrimidine
CID 289981
3-Nitropyrazolo[1,5-a]pyrimidine
CID 687127
4-Nitro-2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
CID 135016070
N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine
CID 11367757
2-Azido-3-(4-nitropyrazol-1-yl)pyrazine
CID 126484525
2-Azido-3-(3-nitropyrazol-1-yl)pyrazine
CID 126484533
7-Amino-6-nitro[1,2,4]triazolo[1,5-a]pyrimidine
CID 129873797
4,5-Dinitro-2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
CID 135039968
6-Nitro(1,2,4)triazolo(1,5-a)pyrimidine
CID 12756620
6-Nitrotriazolo-[1,5-a]pyrimidine
CID 129870869
Nitropyrazolo[5,1-c]-as-triazine
CID 129876826

Frequently Asked Questions

What is the IUPAC name of 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine?
The IUPAC name of 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine (CID 135016071) is 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine?
The canonical SMILES for 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine is [N-]=[N+]=Nc1nccnc1-n1cc([N+](=O)[O-])c([N+](=O)[O-])n1.
What is the InChIKey of 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine?
The InChIKey is JMMCHSVBJKFZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N9O4/c8-13-11-5-7(10-2-1-9-5)14-3-4(15(17)18)6(12-14)16(19)20/h1-3H.
What are the key properties of 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine?
2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine has a molecular weight of 277.16 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-(3,4-dinitropyrazol-1-yl)pyrazine is sourced from PubChem (CID 135016071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).