5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole

C19H18N4O — CID 164625536

IUPAC5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole
SMILESc1ccc2c(-c3ccc4c(c3)nnn4CC3CCOC3)c[nH]c2c1
InChIInChI=1S/C19H18N4O/c1-2-4-17-15(3-1)16(10-20-17)14-5-6-19-18(9-14)21-22-23(19)11-13-7-8-24-12-13/h1-6,9-10,13,20H,7-8,11-12H2
InChIKeyOLBNVQLQXDSGNV-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.62
Rot. Bonds3

About 5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole

5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole (PubChem CID 164625536) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole
PubChem CID164625536
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole
SMILESc1ccc2c(-c3ccc4c(c3)nnn4CC3CCOC3)c[nH]c2c1
InChIInChI=1S/C19H18N4O/c1-2-4-17-15(3-1)16(10-20-17)14-5-6-19-18(9-14)21-22-23(19)11-13-7-8-24-12-13/h1-6,9-10,13,20H,7-8,11-12H2
InChIKeyOLBNVQLQXDSGNV-UHFFFAOYSA-N
XLogP3.62
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole?
The IUPAC name of 5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole (CID 164625536) is 5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole.
What is the SMILES notation for 5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole?
The canonical SMILES for 5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole is c1ccc2c(-c3ccc4c(c3)nnn4CC3CCOC3)c[nH]c2c1.
What is the InChIKey of 5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole?
The InChIKey is OLBNVQLQXDSGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-2-4-17-15(3-1)16(10-20-17)14-5-6-19-18(9-14)21-22-23(19)11-13-7-8-24-12-13/h1-6,9-10,13,20H,7-8,11-12H2.
What are the key properties of 5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole?
5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole has a molecular weight of 318.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-1-(oxolan-3-ylmethyl)benzotriazole is sourced from PubChem (CID 164625536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).