2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide

C19H22N6O — CID 131910384

IUPAC2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide
SMILESCCC(c1nc(CC(N)=O)nn1C1Cc2ccccc2C1)n1cccn1
InChIInChI=1S/C19H22N6O/c1-2-16(24-9-5-8-21-24)19-22-18(12-17(20)26)23-25(19)15-10-13-6-3-4-7-14(13)11-15/h3-9,15-16H,2,10-12H2,1H3,(H2,20,26)
InChIKeyXGSRVHUGMXXFKM-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.84
Rot. Bonds6

About 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide

2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 131910384) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID131910384
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide
SMILESCCC(c1nc(CC(N)=O)nn1C1Cc2ccccc2C1)n1cccn1
InChIInChI=1S/C19H22N6O/c1-2-16(24-9-5-8-21-24)19-22-18(12-17(20)26)23-25(19)15-10-13-6-3-4-7-14(13)11-15/h3-9,15-16H,2,10-12H2,1H3,(H2,20,26)
InChIKeyXGSRVHUGMXXFKM-UHFFFAOYSA-N
XLogP1.84
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.84
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-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide (CID 131910384) is 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide is CCC(c1nc(CC(N)=O)nn1C1Cc2ccccc2C1)n1cccn1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is XGSRVHUGMXXFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-16(24-9-5-8-21-24)19-22-18(12-17(20)26)23-25(19)15-10-13-6-3-4-7-14(13)11-15/h3-9,15-16H,2,10-12H2,1H3,(H2,20,26).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide?
2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 350.43 g/mol, XLogP of 1.84, 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-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131910384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).