2-(1H-imidazol-5-yl)pyrazine;dihydrochloride

C7H8Cl2N4 — CID 91798971

IUPAC2-(1H-imidazol-5-yl)pyrazine;dihydrochloride
SMILESCl.Cl.c1cnc(-c2cnc[nH]2)cn1
InChIInChI=1S/C7H6N4.2ClH/c1-2-10-6(3-8-1)7-4-9-5-11-7;;/h1-5H,(H,9,11);2*1H
InChIKeyJAMUBLDPUFQGIR-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.71
Rot. Bonds1

About 2-(1H-imidazol-5-yl)pyrazine;dihydrochloride

2-(1H-imidazol-5-yl)pyrazine;dihydrochloride (PubChem CID 91798971) has the molecular formula C7H8Cl2N4 and a molecular weight of 219.08 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)pyrazine;dihydrochloride.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)pyrazine;dihydrochloride
PubChem CID91798971
Molecular FormulaC7H8Cl2N4
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name2-(1H-imidazol-5-yl)pyrazine;dihydrochloride
SMILESCl.Cl.c1cnc(-c2cnc[nH]2)cn1
InChIInChI=1S/C7H6N4.2ClH/c1-2-10-6(3-8-1)7-4-9-5-11-7;;/h1-5H,(H,9,11);2*1H
InChIKeyJAMUBLDPUFQGIR-UHFFFAOYSA-N
XLogP1.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)pyrazine;dihydrochloride?
The IUPAC name of 2-(1H-imidazol-5-yl)pyrazine;dihydrochloride (CID 91798971) is 2-(1H-imidazol-5-yl)pyrazine;dihydrochloride.
What is the SMILES notation for 2-(1H-imidazol-5-yl)pyrazine;dihydrochloride?
The canonical SMILES for 2-(1H-imidazol-5-yl)pyrazine;dihydrochloride is Cl.Cl.c1cnc(-c2cnc[nH]2)cn1.
What is the InChIKey of 2-(1H-imidazol-5-yl)pyrazine;dihydrochloride?
The InChIKey is JAMUBLDPUFQGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4.2ClH/c1-2-10-6(3-8-1)7-4-9-5-11-7;;/h1-5H,(H,9,11);2*1H.
What are the key properties of 2-(1H-imidazol-5-yl)pyrazine;dihydrochloride?
2-(1H-imidazol-5-yl)pyrazine;dihydrochloride has a molecular weight of 219.08 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)pyrazine;dihydrochloride is sourced from PubChem (CID 91798971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).