2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol

C16H20N6O — CID 2997492

IUPAC2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol
SMILESCc1nnc2c(N3CCN(CCO)CC3)nc3ccccc3n12
InChIInChI=1S/C16H20N6O/c1-12-18-19-16-15(21-8-6-20(7-9-21)10-11-23)17-13-4-2-3-5-14(13)22(12)16/h2-5,23H,6-11H2,1H3
InChIKeyRTNNSJVHYJTFKT-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.70
Rot. Bonds3

About 2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol

2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol (PubChem CID 2997492) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol
PubChem CID2997492
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol
SMILESCc1nnc2c(N3CCN(CCO)CC3)nc3ccccc3n12
InChIInChI=1S/C16H20N6O/c1-12-18-19-16-15(21-8-6-20(7-9-21)10-11-23)17-13-4-2-3-5-14(13)22(12)16/h2-5,23H,6-11H2,1H3
InChIKeyRTNNSJVHYJTFKT-UHFFFAOYSA-N
XLogP0.70
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol (CID 2997492) is 2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol is Cc1nnc2c(N3CCN(CCO)CC3)nc3ccccc3n12.
What is the InChIKey of 2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is RTNNSJVHYJTFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12-18-19-16-15(21-8-6-20(7-9-21)10-11-23)17-13-4-2-3-5-14(13)22(12)16/h2-5,23H,6-11H2,1H3.
What are the key properties of 2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol?
2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 312.38 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 2997492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).