3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole

C17H22N6 — CID 10614907

IUPAC3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESc1cc2[nH]cc(CCCN3CCNCC3)c2cc1-n1cnnc1
InChIInChI=1S/C17H22N6/c1(7-22-8-5-18-6-9-22)2-14-11-19-17-4-3-15(10-16(14)17)23-12-20-21-13-23/h3-4,10-13,18-19H,1-2,5-9H2
InChIKeyOOQZMTKUJVKASW-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.59
Rot. Bonds5

About 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole

3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 10614907) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID10614907
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESc1cc2[nH]cc(CCCN3CCNCC3)c2cc1-n1cnnc1
InChIInChI=1S/C17H22N6/c1(7-22-8-5-18-6-9-22)2-14-11-19-17-4-3-15(10-16(14)17)23-12-20-21-13-23/h3-4,10-13,18-19H,1-2,5-9H2
InChIKeyOOQZMTKUJVKASW-UHFFFAOYSA-N
XLogP1.59
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole (CID 10614907) is 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole is c1cc2[nH]cc(CCCN3CCNCC3)c2cc1-n1cnnc1.
What is the InChIKey of 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is OOQZMTKUJVKASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1(7-22-8-5-18-6-9-22)2-14-11-19-17-4-3-15(10-16(14)17)23-12-20-21-13-23/h3-4,10-13,18-19H,1-2,5-9H2.
What are the key properties of 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole?
3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 310.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 10614907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).