2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile

C16H17N7 — CID 58475249

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile
SMILESCc1nc2c(N3CCN(C)CC3)nc3ccc(C#N)cc3n2n1
InChIInChI=1S/C16H17N7/c1-11-18-16-15(22-7-5-21(2)6-8-22)19-13-4-3-12(10-17)9-14(13)23(16)20-11/h3-4,9H,5-8H2,1-2H3
InChIKeyOLAXPLYRVXBDMO-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.21
Rot. Bonds1

About 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile

2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile (PubChem CID 58475249) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile
PubChem CID58475249
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile
SMILESCc1nc2c(N3CCN(C)CC3)nc3ccc(C#N)cc3n2n1
InChIInChI=1S/C16H17N7/c1-11-18-16-15(22-7-5-21(2)6-8-22)19-13-4-3-12(10-17)9-14(13)23(16)20-11/h3-4,9H,5-8H2,1-2H3
InChIKeyOLAXPLYRVXBDMO-UHFFFAOYSA-N
XLogP1.21
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile (CID 58475249) is 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile is Cc1nc2c(N3CCN(C)CC3)nc3ccc(C#N)cc3n2n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile?
The InChIKey is OLAXPLYRVXBDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-11-18-16-15(22-7-5-21(2)6-8-22)19-13-4-3-12(10-17)9-14(13)23(16)20-11/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile?
2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile is sourced from PubChem (CID 58475249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).