3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium

C19H17N4+ — CID 162494344

IUPAC3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium
SMILESCc1ccccc1-c1n(-c2ccccc2)c2nccnc2[n+]1C
InChIInChI=1S/C19H17N4/c1-14-8-6-7-11-16(14)19-22(2)17-18(21-13-12-20-17)23(19)15-9-4-3-5-10-15/h3-13H,1-2H3/q+1
InChIKeyUKULBOQRNJWNKV-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.22
Rot. Bonds2

About 3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium

3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium (PubChem CID 162494344) has the molecular formula C19H17N4+ and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium.

Molecular Properties

Compound Name3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium
PubChem CID162494344
Molecular FormulaC19H17N4+
Molecular Weight301.37 g/mol
Exact Mass301.14
IUPAC Name3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium
SMILESCc1ccccc1-c1n(-c2ccccc2)c2nccnc2[n+]1C
InChIInChI=1S/C19H17N4/c1-14-8-6-7-11-16(14)19-22(2)17-18(21-13-12-20-17)23(19)15-9-4-3-5-10-15/h3-13H,1-2H3/q+1
InChIKeyUKULBOQRNJWNKV-UHFFFAOYSA-N
XLogP3.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium?
The IUPAC name of 3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium (CID 162494344) is 3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium.
What is the SMILES notation for 3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium?
The canonical SMILES for 3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium is Cc1ccccc1-c1n(-c2ccccc2)c2nccnc2[n+]1C.
What is the InChIKey of 3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium?
The InChIKey is UKULBOQRNJWNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N4/c1-14-8-6-7-11-16(14)19-22(2)17-18(21-13-12-20-17)23(19)15-9-4-3-5-10-15/h3-13H,1-2H3/q+1.
What are the key properties of 3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium?
3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium has a molecular weight of 301.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium is sourced from PubChem (CID 162494344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).