3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole

C15H18N4 — CID 80566356

IUPAC3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)NCC2c1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C15H18N4/c1-2-6-10(5-1)14-17-15(19-18-14)12-9-16-13-8-4-3-7-11(12)13/h3-4,7-8,10,12,16H,1-2,5-6,9H2,(H,17,18,19)
InChIKeyUGGVADZGJQYIII-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.02
Rot. Bonds2

About 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole

3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole (PubChem CID 80566356) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole
PubChem CID80566356
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)NCC2c1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C15H18N4/c1-2-6-10(5-1)14-17-15(19-18-14)12-9-16-13-8-4-3-7-11(12)13/h3-4,7-8,10,12,16H,1-2,5-6,9H2,(H,17,18,19)
InChIKeyUGGVADZGJQYIII-UHFFFAOYSA-N
XLogP3.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole (CID 80566356) is 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole is c1ccc2c(c1)NCC2c1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole?
The InChIKey is UGGVADZGJQYIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-6-10(5-1)14-17-15(19-18-14)12-9-16-13-8-4-3-7-11(12)13/h3-4,7-8,10,12,16H,1-2,5-6,9H2,(H,17,18,19).
What are the key properties of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole?
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole has a molecular weight of 254.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 80566356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).