3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole

C16H19N5 — CID 10468938

IUPAC3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESc1cc2[nH]cc(CCN3CCCC3)c2cc1-n1cnnc1
InChIInChI=1S/C16H19N5/c1-2-7-20(6-1)8-5-13-10-17-16-4-3-14(9-15(13)16)21-11-18-19-12-21/h3-4,9-12,17H,1-2,5-8H2
InChIKeyWYXPLVWYFDBFBS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.39
Rot. Bonds4

About 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole

3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 10468938) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID10468938
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESc1cc2[nH]cc(CCN3CCCC3)c2cc1-n1cnnc1
InChIInChI=1S/C16H19N5/c1-2-7-20(6-1)8-5-13-10-17-16-4-3-14(9-15(13)16)21-11-18-19-12-21/h3-4,9-12,17H,1-2,5-8H2
InChIKeyWYXPLVWYFDBFBS-UHFFFAOYSA-N
XLogP2.39
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rizatriptan
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L-741604
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(3S)-3-(N-benzyl)aminomethyl-1-[2-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)ethyl]pyrrolidine
CID 10386282
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 9844873
3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 10341917
3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 18975369
3-(3-Piperazin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
CID 10614907
UK 34787
CID 194468
2-(1-Imidazol-1-yl-ethyl)-9H-carbazole
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1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole (CID 10468938) is 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole is c1cc2[nH]cc(CCN3CCCC3)c2cc1-n1cnnc1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is WYXPLVWYFDBFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-7-20(6-1)8-5-13-10-17-16-4-3-14(9-15(13)16)21-11-18-19-12-21/h3-4,9-12,17H,1-2,5-8H2.
What are the key properties of 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole?
3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 281.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 10468938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).