2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole

C17H20N4O — CID 74230614

IUPAC2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole
SMILESCc1cc2ccccc2n1CCc1nc(C2CCOC2)n[nH]1
InChIInChI=1S/C17H20N4O/c1-12-10-13-4-2-3-5-15(13)21(12)8-6-16-18-17(20-19-16)14-7-9-22-11-14/h2-5,10,14H,6-9,11H2,1H3,(H,18,19,20)
InChIKeyVONFLYNGSSYLNT-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole

2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole (PubChem CID 74230614) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole.

Molecular Properties

Compound Name2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole
PubChem CID74230614
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole
SMILESCc1cc2ccccc2n1CCc1nc(C2CCOC2)n[nH]1
InChIInChI=1S/C17H20N4O/c1-12-10-13-4-2-3-5-15(13)21(12)8-6-16-18-17(20-19-16)14-7-9-22-11-14/h2-5,10,14H,6-9,11H2,1H3,(H,18,19,20)
InChIKeyVONFLYNGSSYLNT-UHFFFAOYSA-N
XLogP2.81
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole?
The IUPAC name of 2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole (CID 74230614) is 2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole.
What is the SMILES notation for 2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole?
The canonical SMILES for 2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole is Cc1cc2ccccc2n1CCc1nc(C2CCOC2)n[nH]1.
What is the InChIKey of 2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole?
The InChIKey is VONFLYNGSSYLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-10-13-4-2-3-5-15(13)21(12)8-6-16-18-17(20-19-16)14-7-9-22-11-14/h2-5,10,14H,6-9,11H2,1H3,(H,18,19,20).
What are the key properties of 2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole?
2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole has a molecular weight of 296.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole is sourced from PubChem (CID 74230614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).