2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone

C17H20N4O — CID 128524883

IUPAC2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone
SMILESCc1nc(C)n(C2CN(C(=O)c3cccc4c3CCC4)C2)n1
InChIInChI=1S/C17H20N4O/c1-11-18-12(2)21(19-11)14-9-20(10-14)17(22)16-8-4-6-13-5-3-7-15(13)16/h4,6,8,14H,3,5,7,9-10H2,1-2H3
InChIKeyRLTONXAXYDVEKB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.08
Rot. Bonds2

About 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone

2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 128524883) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone
PubChem CID128524883
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone
SMILESCc1nc(C)n(C2CN(C(=O)c3cccc4c3CCC4)C2)n1
InChIInChI=1S/C17H20N4O/c1-11-18-12(2)21(19-11)14-9-20(10-14)17(22)16-8-4-6-13-5-3-7-15(13)16/h4,6,8,14H,3,5,7,9-10H2,1-2H3
InChIKeyRLTONXAXYDVEKB-UHFFFAOYSA-N
XLogP2.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone (CID 128524883) is 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone is Cc1nc(C)n(C2CN(C(=O)c3cccc4c3CCC4)C2)n1.
What is the InChIKey of 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is RLTONXAXYDVEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-18-12(2)21(19-11)14-9-20(10-14)17(22)16-8-4-6-13-5-3-7-15(13)16/h4,6,8,14H,3,5,7,9-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone?
2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 128524883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).