2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole

C15H16N4O — CID 97154603

IUPAC2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole
SMILESc1ccc2[nH]c(Cn3cc([C@@H]4CCOC4)nn3)cc2c1
InChIInChI=1S/C15H16N4O/c1-2-4-14-11(3-1)7-13(16-14)8-19-9-15(17-18-19)12-5-6-20-10-12/h1-4,7,9,12,16H,5-6,8,10H2/t12-/m1/s1
InChIKeyNCYJRADXGPQLQD-GFCCVEGCSA-N
MW268.32 g/mol
LogP2.31
Rot. Bonds3

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

2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole (PubChem CID 97154603) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole
PubChem CID97154603
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole
SMILESc1ccc2[nH]c(Cn3cc([C@@H]4CCOC4)nn3)cc2c1
InChIInChI=1S/C15H16N4O/c1-2-4-14-11(3-1)7-13(16-14)8-19-9-15(17-18-19)12-5-6-20-10-12/h1-4,7,9,12,16H,5-6,8,10H2/t12-/m1/s1
InChIKeyNCYJRADXGPQLQD-GFCCVEGCSA-N
XLogP2.31
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole
CID 72860324
1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-[(3R)-oxolan-3-yl]triazole
CID 97125291
4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 70723098
1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-[(3S)-oxolan-3-yl]triazole
CID 97133638
6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one
CID 167805470
2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126428211
5-chloro-2-methyl-3-[2-[4-(oxolan-3-yl)triazol-1-yl]ethyl]-1H-indole
CID 72857150
4-[(3R)-oxolan-3-yl]-1-[2-(1-phenylpyrazol-4-yl)ethyl]triazole
CID 97126547
3-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-4-propyl-1,2,4-triazole
CID 97138633
2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline
CID 97143559
2-(oxetan-3-yl)-1H-indole
CID 151869222
4-(oxolan-3-yl)-1-(4-phenylmethoxyphenyl)triazole
CID 167762154

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole?
The IUPAC name of 2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole (CID 97154603) is 2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole.
What is the SMILES notation for 2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole?
The canonical SMILES for 2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole is c1ccc2[nH]c(Cn3cc([C@@H]4CCOC4)nn3)cc2c1.
What is the InChIKey of 2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole?
The InChIKey is NCYJRADXGPQLQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-4-14-11(3-1)7-13(16-14)8-19-9-15(17-18-19)12-5-6-20-10-12/h1-4,7,9,12,16H,5-6,8,10H2/t12-/m1/s1.
What are the key properties of 2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole?
2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole has a molecular weight of 268.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole is sourced from PubChem (CID 97154603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).