1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline

C16H19N5 — CID 899502

IUPAC1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2c(N3CCC[C@@H](C)C3)nc3ccccc3n12
InChIInChI=1S/C16H19N5/c1-11-6-5-9-20(10-11)15-16-19-18-12(2)21(16)14-8-4-3-7-13(14)17-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyAAUHZONHMDCFBL-LLVKDONJSA-N
MW281.36 g/mol
LogP2.82
Rot. Bonds1

About 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline

1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 899502) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID899502
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2c(N3CCC[C@@H](C)C3)nc3ccccc3n12
InChIInChI=1S/C16H19N5/c1-11-6-5-9-20(10-11)15-16-19-18-12(2)21(16)14-8-4-3-7-13(14)17-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyAAUHZONHMDCFBL-LLVKDONJSA-N
XLogP2.82
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1325761
2-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinazoline
CID 42149941
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 838791
N-methyl-4-(3-methylpiperidin-1-yl)quinazolin-2-amine
CID 80764711
N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4599321
1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine
CID 6416576
3-(3,4-dimethylphenyl)sulfonyl-5-[(3R)-3-methylpiperidin-1-yl]triazolo[1,5-a]quinazoline
CID 2151700
2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 123584150
2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 20963253
1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20921368
4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 3700003

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline (CID 899502) is 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nnc2c(N3CCC[C@@H](C)C3)nc3ccccc3n12.
What is the InChIKey of 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is AAUHZONHMDCFBL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-6-5-9-20(10-11)15-16-19-18-12(2)21(16)14-8-4-3-7-13(14)17-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline?
1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 281.36 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 899502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).