2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine

C15H18N6 — CID 105162499

IUPAC2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine
SMILESCCCn1ncnc1CC(N)c1cccc2nccnc12
InChIInChI=1S/C15H18N6/c1-2-8-21-14(19-10-20-21)9-12(16)11-4-3-5-13-15(11)18-7-6-17-13/h3-7,10,12H,2,8-9,16H2,1H3
InChIKeyXUNVDJVVFDCLCA-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.87
Rot. Bonds5

About 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine

2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine (PubChem CID 105162499) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine.

Molecular Properties

Compound Name2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine
PubChem CID105162499
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine
SMILESCCCn1ncnc1CC(N)c1cccc2nccnc12
InChIInChI=1S/C15H18N6/c1-2-8-21-14(19-10-20-21)9-12(16)11-4-3-5-13-15(11)18-7-6-17-13/h3-7,10,12H,2,8-9,16H2,1H3
InChIKeyXUNVDJVVFDCLCA-UHFFFAOYSA-N
XLogP1.87
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,3-difluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003143
1-(2-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003291
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol
CID 105109150
2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
CID 105112201
1-(2-methoxy-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002995
1-(2,5-dibromothiophen-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 114022144
1-(2-bromo-4-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003239
2-(2-ethyl-5-methylpyrazol-3-yl)-1-quinoxalin-5-ylethanamine
CID 105162303
2-(5-ethylthiophen-2-yl)-1-quinoxalin-5-ylethanamine
CID 105135907
1-(2-bromo-5-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105162566
1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine
CID 105187594

Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine?
The IUPAC name of 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine (CID 105162499) is 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine.
What is the SMILES notation for 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine?
The canonical SMILES for 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine is CCCn1ncnc1CC(N)c1cccc2nccnc12.
What is the InChIKey of 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine?
The InChIKey is XUNVDJVVFDCLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-2-8-21-14(19-10-20-21)9-12(16)11-4-3-5-13-15(11)18-7-6-17-13/h3-7,10,12H,2,8-9,16H2,1H3.
What are the key properties of 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine?
2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine has a molecular weight of 282.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine is sourced from PubChem (CID 105162499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).