2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid

C17H15N3O3 — CID 74231669

IUPAC2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2ccco2)nc1C1CCc2ccccc21
InChIInChI=1S/C17H15N3O3/c21-15(22)10-20-17(18-16(19-20)14-6-3-9-23-14)13-8-7-11-4-1-2-5-12(11)13/h1-6,9,13H,7-8,10H2,(H,21,22)
InChIKeyADKNPZVNNNWNBE-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.70
Rot. Bonds4

About 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid

2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid (PubChem CID 74231669) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid
PubChem CID74231669
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2ccco2)nc1C1CCc2ccccc21
InChIInChI=1S/C17H15N3O3/c21-15(22)10-20-17(18-16(19-20)14-6-3-9-23-14)13-8-7-11-4-1-2-5-12(11)13/h1-6,9,13H,7-8,10H2,(H,21,22)
InChIKeyADKNPZVNNNWNBE-UHFFFAOYSA-N
XLogP2.70
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[5-(2,6-difluoro-4-methoxyphenyl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid
CID 74249371
2-(furan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117156043
4-benzyl-2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]-5-(furan-2-yl)-1,2,4-triazole-3-thione
CID 24650811
2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-1-yl]acetic acid
CID 154563824
2-[2-(furan-2-yl)-4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]acetic acid
CID 56911286
2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid
CID 154563353
(4R)-1-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 124554718
3-(2,3-dihydro-1H-inden-1-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 146132936
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide
CID 121117042
4-[(3S)-5-(furan-2-yl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 97286795
(1S)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95019751
5-(furan-2-yl)-3-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,3,4-oxadiazol-2-one
CID 94065426

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid (CID 74231669) is 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid is O=C(O)Cn1nc(-c2ccco2)nc1C1CCc2ccccc21.
What is the InChIKey of 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid?
The InChIKey is ADKNPZVNNNWNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-15(22)10-20-17(18-16(19-20)14-6-3-9-23-14)13-8-7-11-4-1-2-5-12(11)13/h1-6,9,13H,7-8,10H2,(H,21,22).
What are the key properties of 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid?
2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 309.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-yl)-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 74231669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).