3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine

C18H23N7 — CID 133449404

IUPAC3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
SMILESCC1CCN(c2nc3ccccc3nc2NCCn2ccnn2)CC1
InChIInChI=1S/C18H23N7/c1-14-6-10-24(11-7-14)18-17(19-8-12-25-13-9-20-23-25)21-15-4-2-3-5-16(15)22-18/h2-5,9,13-14H,6-8,10-12H2,1H3,(H,19,21)
InChIKeyHWJWGUJTLFOUOM-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.57
Rot. Bonds5

About 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine

3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine (PubChem CID 133449404) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
PubChem CID133449404
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
SMILESCC1CCN(c2nc3ccccc3nc2NCCn2ccnn2)CC1
InChIInChI=1S/C18H23N7/c1-14-6-10-24(11-7-14)18-17(19-8-12-25-13-9-20-23-25)21-15-4-2-3-5-16(15)22-18/h2-5,9,13-14H,6-8,10-12H2,1H3,(H,19,21)
InChIKeyHWJWGUJTLFOUOM-UHFFFAOYSA-N
XLogP2.57
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine 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 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine (CID 133449404) is 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine is CC1CCN(c2nc3ccccc3nc2NCCn2ccnn2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The InChIKey is HWJWGUJTLFOUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-14-6-10-24(11-7-14)18-17(19-8-12-25-13-9-20-23-25)21-15-4-2-3-5-16(15)22-18/h2-5,9,13-14H,6-8,10-12H2,1H3,(H,19,21).
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 133449404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).