1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

C18H19N6O+ — CID 6973823

IUPAC1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESC[NH+]1CCN(c2nc3ccccc3n3c(-c4ccco4)nnc23)CC1
InChIInChI=1S/C18H18N6O/c1-22-8-10-23(11-9-22)17-18-21-20-16(15-7-4-12-25-15)24(18)14-6-3-2-5-13(14)19-17/h2-7,12H,8-11H2,1H3/p+1
InChIKeyMWPXQKWOWCGGJS-UHFFFAOYSA-O
MW335.39 g/mol
LogP0.87
Rot. Bonds2

About 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 6973823) has the molecular formula C18H19N6O+ and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID6973823
Molecular FormulaC18H19N6O+
Molecular Weight335.39 g/mol
Exact Mass335.16
IUPAC Name1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESC[NH+]1CCN(c2nc3ccccc3n3c(-c4ccco4)nnc23)CC1
InChIInChI=1S/C18H18N6O/c1-22-8-10-23(11-9-22)17-18-21-20-16(15-7-4-12-25-15)24(18)14-6-3-2-5-13(14)19-17/h2-7,12H,8-11H2,1H3/p+1
InChIKeyMWPXQKWOWCGGJS-UHFFFAOYSA-O
XLogP0.87
TPSA63.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 838791
1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20921368
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1325761
8-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 6948971
2-ethyl-3-methyl-1-(4-methylpiperazin-4-ium-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3588711
1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 899502
2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
CID 962248
4-methyl-9-(4-methyl-1,4-diazepan-1-yl)-1,3,8,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene
CID 139357378
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135
3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 46045350
3-(furan-2-yl)-N-(2-methoxyethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864610
4-(tetrazolo[1,5-a]quinoxalin-4-yl)morpholine
CID 5309141

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 6973823) is 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is C[NH+]1CCN(c2nc3ccccc3n3c(-c4ccco4)nnc23)CC1.
What is the InChIKey of 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is MWPXQKWOWCGGJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N6O/c1-22-8-10-23(11-9-22)17-18-21-20-16(15-7-4-12-25-15)24(18)14-6-3-2-5-13(14)19-17/h2-7,12H,8-11H2,1H3/p+1.
What are the key properties of 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 335.39 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 6973823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).