2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide

C18H22N4O — CID 51079877

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide
SMILESCN(Cc1nnc2n1CCC2)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N4O/c1-21(12-17-20-19-16-6-3-9-22(16)17)18(23)11-13-7-8-14-4-2-5-15(14)10-13/h7-8,10H,2-6,9,11-12H2,1H3
InChIKeyAVDGFPGLZPKCLA-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.91
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide (PubChem CID 51079877) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide
PubChem CID51079877
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide
SMILESCN(Cc1nnc2n1CCC2)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N4O/c1-21(12-17-20-19-16-6-3-9-22(16)17)18(23)11-13-7-8-14-4-2-5-15(14)10-13/h7-8,10H,2-6,9,11-12H2,1H3
InChIKeyAVDGFPGLZPKCLA-UHFFFAOYSA-N
XLogP1.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide (CID 51079877) is 2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide is CN(Cc1nnc2n1CCC2)C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide?
The InChIKey is AVDGFPGLZPKCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21(12-17-20-19-16-6-3-9-22(16)17)18(23)11-13-7-8-14-4-2-5-15(14)10-13/h7-8,10H,2-6,9,11-12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide has a molecular weight of 310.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 51079877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).