2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol

C14H15N5O — CID 105109150

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol
SMILESCCn1ncnc1CC(O)c1cccc2nccnc12
InChIInChI=1S/C14H15N5O/c1-2-19-13(17-9-18-19)8-12(20)10-4-3-5-11-14(10)16-7-6-15-11/h3-7,9,12,20H,2,8H2,1H3
InChIKeyKSAZNGUNHJLELO-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.52
Rot. Bonds4

About 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol

2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol (PubChem CID 105109150) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol
PubChem CID105109150
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol
SMILESCCn1ncnc1CC(O)c1cccc2nccnc12
InChIInChI=1S/C14H15N5O/c1-2-19-13(17-9-18-19)8-12(20)10-4-3-5-11-14(10)16-7-6-15-11/h3-7,9,12,20H,2,8H2,1H3
InChIKeyKSAZNGUNHJLELO-UHFFFAOYSA-N
XLogP1.52
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105109180
1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 107103402
2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine
CID 105162499
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109204
1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105107161
1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 115524867
2-(4-fluoro-2-methylphenyl)-1-quinoxalin-5-ylethanol
CID 105131294
2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103128980
2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
CID 105112201
1-quinoxalin-5-ylbut-3-en-1-ol
CID 105081692

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol (CID 105109150) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol is CCn1ncnc1CC(O)c1cccc2nccnc12.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol?
The InChIKey is KSAZNGUNHJLELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-19-13(17-9-18-19)8-12(20)10-4-3-5-11-14(10)16-7-6-15-11/h3-7,9,12,20H,2,8H2,1H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol has a molecular weight of 269.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol is sourced from PubChem (CID 105109150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).