5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine

C8H8N6O2 — CID 103057120

IUPAC5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine
SMILESNc1cnc(Cn2cnc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C8H8N6O2/c9-7-2-10-6(1-11-7)3-13-4-8(12-5-13)14(15)16/h1-2,4-5H,3H2,(H2,9,11)
InChIKeyGONJRBBJOLTDOM-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.21
Rot. Bonds3

About 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine

5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine (PubChem CID 103057120) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine
PubChem CID103057120
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine
SMILESNc1cnc(Cn2cnc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C8H8N6O2/c9-7-2-10-6(1-11-7)3-13-4-8(12-5-13)14(15)16/h1-2,4-5H,3H2,(H2,9,11)
InChIKeyGONJRBBJOLTDOM-UHFFFAOYSA-N
XLogP0.21
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.21
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 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-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 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine?
The IUPAC name of 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine (CID 103057120) is 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine is Nc1cnc(Cn2cnc([N+](=O)[O-])c2)cn1.
What is the InChIKey of 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine?
The InChIKey is GONJRBBJOLTDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c9-7-2-10-6(1-11-7)3-13-4-8(12-5-13)14(15)16/h1-2,4-5H,3H2,(H2,9,11).
What are the key properties of 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine?
5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine has a molecular weight of 220.19 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-nitroimidazol-1-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 103057120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).