2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

C15H18N4O — CID 116610444

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESCCn1ncnc1CC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H18N4O/c1-2-19-15(17-10-18-19)9-14(20)12-5-3-7-13-11(12)6-4-8-16-13/h3,5,7,10,16H,2,4,6,8-9H2,1H3
InChIKeyZNLLSFFLLYUHQU-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.08
Rot. Bonds4

About 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (PubChem CID 116610444) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
PubChem CID116610444
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESCCn1ncnc1CC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H18N4O/c1-2-19-15(17-10-18-19)9-14(20)12-5-3-7-13-11(12)6-4-8-16-13/h3,5,7,10,16H,2,4,6,8-9H2,1H3
InChIKeyZNLLSFFLLYUHQU-UHFFFAOYSA-N
XLogP2.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone with MolForge

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Related Compounds

(2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 112744174
5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780222
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone
CID 105111478
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610346
1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 115779262
5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106780063
2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 105412079
1-[2-(2-aminoethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 116577483
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
2-(2-bromo-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610473
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (CID 116610444) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is CCn1ncnc1CC(=O)c1cccc2c1CCCN2.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The InChIKey is ZNLLSFFLLYUHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-19-15(17-10-18-19)9-14(20)12-5-3-7-13-11(12)6-4-8-16-13/h3,5,7,10,16H,2,4,6,8-9H2,1H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone has a molecular weight of 270.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is sourced from PubChem (CID 116610444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).