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

C15H16N4O — CID 97154604

IUPAC2-[[4-[(3R)-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-/m0/s1
InChIKeyNCYJRADXGPQLQD-LBPRGKRZSA-N
MW268.32 g/mol
LogP2.31
Rot. Bonds3

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

2-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole (PubChem CID 97154604) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name2-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole
PubChem CID97154604
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[[4-[(3R)-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-/m0/s1
InChIKeyNCYJRADXGPQLQD-LBPRGKRZSA-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

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Related Compounds

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CID 164627174
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CID 25011689
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CID 137243336
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CID 120940514
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CID 164640508

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole?
The IUPAC name of 2-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole (CID 97154604) is 2-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole.
What is the SMILES notation for 2-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole?
The canonical SMILES for 2-[[4-[(3R)-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-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole?
The InChIKey is NCYJRADXGPQLQD-LBPRGKRZSA-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-/m0/s1.
What are the key properties of 2-[[4-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole?
2-[[4-[(3R)-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-[(3R)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole is sourced from PubChem (CID 97154604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).