2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide

C20H23N5O2 — CID 72888240

IUPAC2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide
SMILESCN(C)Cc1ccc(-c2nc(CC(N)=O)nn2-c2cccc3c2CCC3)o1
InChIInChI=1S/C20H23N5O2/c1-24(2)12-14-9-10-17(27-14)20-22-19(11-18(21)26)23-25(20)16-8-4-6-13-5-3-7-15(13)16/h4,6,8-10H,3,5,7,11-12H2,1-2H3,(H2,21,26)
InChIKeyZIZYODNWOMDRTM-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.11
Rot. Bonds6

About 2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide

2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 72888240) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide
PubChem CID72888240
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide
SMILESCN(C)Cc1ccc(-c2nc(CC(N)=O)nn2-c2cccc3c2CCC3)o1
InChIInChI=1S/C20H23N5O2/c1-24(2)12-14-9-10-17(27-14)20-22-19(11-18(21)26)23-25(20)16-8-4-6-13-5-3-7-15(13)16/h4,6,8-10H,3,5,7,11-12H2,1-2H3,(H2,21,26)
InChIKeyZIZYODNWOMDRTM-UHFFFAOYSA-N
XLogP2.11
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide (CID 72888240) is 2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide is CN(C)Cc1ccc(-c2nc(CC(N)=O)nn2-c2cccc3c2CCC3)o1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ZIZYODNWOMDRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24(2)12-14-9-10-17(27-14)20-22-19(11-18(21)26)23-25(20)16-8-4-6-13-5-3-7-15(13)16/h4,6,8-10H,3,5,7,11-12H2,1-2H3,(H2,21,26).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide?
2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 365.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-4-yl)-5-[5-[(dimethylamino)methyl]furan-2-yl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72888240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).