[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium

C14H9F2N4+ — CID 171820796

IUPAC[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium
SMILESC#[N+]c1ncc(-c2cc(C)c(F)cc2F)n2ccnc12
InChIInChI=1S/C14H9F2N4/c1-8-5-9(11(16)6-10(8)15)12-7-19-13(17-2)14-18-3-4-20(12)14/h2-7H,1H3/q+1
InChIKeyZLKUCMWVTSHZOL-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.58
Rot. Bonds1

About [5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium

[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium (PubChem CID 171820796) has the molecular formula C14H9F2N4+ and a molecular weight of 271.25 g/mol. Its IUPAC name is [5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium.

Molecular Properties

Compound Name[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium
PubChem CID171820796
Molecular FormulaC14H9F2N4+
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium
SMILESC#[N+]c1ncc(-c2cc(C)c(F)cc2F)n2ccnc12
InChIInChI=1S/C14H9F2N4/c1-8-5-9(11(16)6-10(8)15)12-7-19-13(17-2)14-18-3-4-20(12)14/h2-7H,1H3/q+1
InChIKeyZLKUCMWVTSHZOL-UHFFFAOYSA-N
XLogP3.58
TPSA34.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium?
The IUPAC name of [5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium (CID 171820796) is [5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium.
What is the SMILES notation for [5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium?
The canonical SMILES for [5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium is C#[N+]c1ncc(-c2cc(C)c(F)cc2F)n2ccnc12.
What is the InChIKey of [5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium?
The InChIKey is ZLKUCMWVTSHZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N4/c1-8-5-9(11(16)6-10(8)15)12-7-19-13(17-2)14-18-3-4-20(12)14/h2-7H,1H3/q+1.
What are the key properties of [5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium?
[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium has a molecular weight of 271.25 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]-methylidyneazanium is sourced from PubChem (CID 171820796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).