3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole

C12H13N3O — CID 61278537

IUPAC3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(C2Cc3ccccc3O2)n[nH]1
InChIInChI=1S/C12H13N3O/c1-2-11-13-12(15-14-11)10-7-8-5-3-4-6-9(8)16-10/h3-6,10H,2,7H2,1H3,(H,13,14,15)
InChIKeyHHFSNPFVPBVDCX-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.04
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole

3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole (PubChem CID 61278537) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole
PubChem CID61278537
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole
SMILESCCc1nc(C2Cc3ccccc3O2)n[nH]1
InChIInChI=1S/C12H13N3O/c1-2-11-13-12(15-14-11)10-7-8-5-3-4-6-9(8)16-10/h3-6,10H,2,7H2,1H3,(H,13,14,15)
InChIKeyHHFSNPFVPBVDCX-UHFFFAOYSA-N
XLogP2.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-1H-1,2,4-triazole
CID 61277728
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059556
(1R)-1-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565525
2-(2,3-dihydro-1-benzofuran-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 174712271
3-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115390050
1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841205
2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71872781
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841389
N-ethyl-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 70261253
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 96996797
3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915114
2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride
CID 167739757

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole (CID 61278537) is 3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole is CCc1nc(C2Cc3ccccc3O2)n[nH]1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole?
The InChIKey is HHFSNPFVPBVDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-11-13-12(15-14-11)10-7-8-5-3-4-6-9(8)16-10/h3-6,10H,2,7H2,1H3,(H,13,14,15).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole?
3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole has a molecular weight of 215.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-yl)-5-ethyl-1H-1,2,4-triazole is sourced from PubChem (CID 61278537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).