2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol

C13H14N4O — CID 11791351

IUPAC2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol
SMILESOCCc1c[nH]c2ccc(Cn3cncn3)cc12
InChIInChI=1S/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2
InChIKeyWXWBRTKSGCYLQS-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.34
Rot. Bonds4

About 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol

2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol (PubChem CID 11791351) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol
PubChem CID11791351
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol
SMILESOCCc1c[nH]c2ccc(Cn3cncn3)cc12
InChIInChI=1S/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2
InChIKeyWXWBRTKSGCYLQS-UHFFFAOYSA-N
XLogP1.34
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol (CID 11791351) is 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol is OCCc1c[nH]c2ccc(Cn3cncn3)cc12.
What is the InChIKey of 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol?
The InChIKey is WXWBRTKSGCYLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2.
What are the key properties of 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol?
2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol has a molecular weight of 242.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol is sourced from PubChem (CID 11791351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).