6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide

C11H10Cl2CuIN8 — CID 159308732

IUPAC6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide
SMILESC.Nc1cnc(I)c(Cl)n1.[C-]#N.[C-]#[N+]c1ncc(N)nc1Cl.[Cu+]
InChIInChI=1S/C5H3ClN4.C4H3ClIN3.CN.CH4.Cu/c1-8-5-4(6)10-3(7)2-9-5;5-3-4(6)8-1-2(7)9-3;1-2;;/h2H,(H2,7,10);1H,(H2,7,9);;1H4;/q;;-1;;+1
InChIKeyXRFVBHZABWKQIV-UHFFFAOYSA-N
MW515.61 g/mol
LogP3.31
Rot. Bonds

About 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide

6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide (PubChem CID 159308732) has the molecular formula C11H10Cl2CuIN8 and a molecular weight of 515.61 g/mol. Its IUPAC name is 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide.

Molecular Properties

Compound Name6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide
PubChem CID159308732
Molecular FormulaC11H10Cl2CuIN8
Molecular Weight515.61 g/mol
Exact Mass513.87
IUPAC Name6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide
SMILESC.Nc1cnc(I)c(Cl)n1.[C-]#N.[C-]#[N+]c1ncc(N)nc1Cl.[Cu+]
InChIInChI=1S/C5H3ClN4.C4H3ClIN3.CN.CH4.Cu/c1-8-5-4(6)10-3(7)2-9-5;5-3-4(6)8-1-2(7)9-3;1-2;;/h2H,(H2,7,10);1H,(H2,7,9);;1H4;/q;;-1;;+1
InChIKeyXRFVBHZABWKQIV-UHFFFAOYSA-N
XLogP3.31
TPSA131.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide 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 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide?
The IUPAC name of 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide (CID 159308732) is 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide.
What is the SMILES notation for 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide?
The canonical SMILES for 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide is C.Nc1cnc(I)c(Cl)n1.[C-]#N.[C-]#[N+]c1ncc(N)nc1Cl.[Cu+].
What is the InChIKey of 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide?
The InChIKey is XRFVBHZABWKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4.C4H3ClIN3.CN.CH4.Cu/c1-8-5-4(6)10-3(7)2-9-5;5-3-4(6)8-1-2(7)9-3;1-2;;/h2H,(H2,7,10);1H,(H2,7,9);;1H4;/q;;-1;;+1.
What are the key properties of 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide?
6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide has a molecular weight of 515.61 g/mol, XLogP of 3.31, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodopyrazin-2-amine;6-chloro-5-isocyanopyrazin-2-amine;copper(1+);methane;cyanide is sourced from PubChem (CID 159308732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).