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

C19H25N5O — CID 137214471

IUPAC2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCN1CCCCCC1c1nc(-c2c[nH]c3ccccc23)nn1CCO
InChIInChI=1S/C19H25N5O/c1-23-10-6-2-3-9-17(23)19-21-18(22-24(19)11-12-25)15-13-20-16-8-5-4-7-14(15)16/h4-5,7-8,13,17,20,25H,2-3,6,9-12H2,1H3
InChIKeyJTYSRNSPZAXURK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.97
Rot. Bonds4

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

2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 137214471) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol
PubChem CID137214471
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCN1CCCCCC1c1nc(-c2c[nH]c3ccccc23)nn1CCO
InChIInChI=1S/C19H25N5O/c1-23-10-6-2-3-9-17(23)19-21-18(22-24(19)11-12-25)15-13-20-16-8-5-4-7-14(15)16/h4-5,7-8,13,17,20,25H,2-3,6,9-12H2,1H3
InChIKeyJTYSRNSPZAXURK-UHFFFAOYSA-N
XLogP2.97
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol (CID 137214471) is 2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol is CN1CCCCCC1c1nc(-c2c[nH]c3ccccc23)nn1CCO.
What is the InChIKey of 2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is JTYSRNSPZAXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23-10-6-2-3-9-17(23)19-21-18(22-24(19)11-12-25)15-13-20-16-8-5-4-7-14(15)16/h4-5,7-8,13,17,20,25H,2-3,6,9-12H2,1H3.
What are the key properties of 2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol?
2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 339.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 137214471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).