1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole

C18H23N3O2 — CID 97117156

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole
SMILESc1ccc2c(c1)CC(n1ncnc1COC[C@@H]1CCCCO1)C2
InChIInChI=1S/C18H23N3O2/c1-2-6-15-10-16(9-14(15)5-1)21-18(19-13-20-21)12-22-11-17-7-3-4-8-23-17/h1-2,5-6,13,16-17H,3-4,7-12H2/t17-/m0/s1
InChIKeyLSOZHWDOPLYLMK-KRWDZBQOSA-N
MW313.40 g/mol
LogP2.70
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole

1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole (PubChem CID 97117156) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole
PubChem CID97117156
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole
SMILESc1ccc2c(c1)CC(n1ncnc1COC[C@@H]1CCCCO1)C2
InChIInChI=1S/C18H23N3O2/c1-2-6-15-10-16(9-14(15)5-1)21-18(19-13-20-21)12-22-11-17-7-3-4-8-23-17/h1-2,5-6,13,16-17H,3-4,7-12H2/t17-/m0/s1
InChIKeyLSOZHWDOPLYLMK-KRWDZBQOSA-N
XLogP2.70
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole with MolForge

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Related Compounds

2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine
CID 50961433
[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 62895887
2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
[3,5-bis(diphenylphosphanyl)-1,3,5-tris(oxan-2-ylmethoxymethyl)cyclohexyl]-diphenylphosphane
CID 15799396
[4-(oxan-2-ylmethoxymethyl)-2-pyridinyl]hydrazine
CID 62463960
1-(2,3-dihydro-1H-inden-2-yl)-5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-triazole
CID 72902110
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97278262
3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
CID 62920439
2-chloro-6-(oxolan-2-ylmethoxymethyl)pyridine
CID 79240930
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole (CID 97117156) is 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole is c1ccc2c(c1)CC(n1ncnc1COC[C@@H]1CCCCO1)C2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole?
The InChIKey is LSOZHWDOPLYLMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-6-15-10-16(9-14(15)5-1)21-18(19-13-20-21)12-22-11-17-7-3-4-8-23-17/h1-2,5-6,13,16-17H,3-4,7-12H2/t17-/m0/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole?
1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole has a molecular weight of 313.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole is sourced from PubChem (CID 97117156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).