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

C16H20N4 — CID 80563100

IUPAC3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCc1nnc(C2CNc3ccccc32)n1C1CCCC1
InChIInChI=1S/C16H20N4/c1-11-18-19-16(20(11)12-6-2-3-7-12)14-10-17-15-9-5-4-8-13(14)15/h4-5,8-9,12,14,17H,2-3,6-7,10H2,1H3
InChIKeyTUGOUTUWPHEMGG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.26
Rot. Bonds2

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

3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (PubChem CID 80563100) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
PubChem CID80563100
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCc1nnc(C2CNc3ccccc32)n1C1CCCC1
InChIInChI=1S/C16H20N4/c1-11-18-19-16(20(11)12-6-2-3-7-12)14-10-17-15-9-5-4-8-13(14)15/h4-5,8-9,12,14,17H,2-3,6-7,10H2,1H3
InChIKeyTUGOUTUWPHEMGG-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (CID 80563100) is 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is Cc1nnc(C2CNc3ccccc32)n1C1CCCC1.
What is the InChIKey of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is TUGOUTUWPHEMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-18-19-16(20(11)12-6-2-3-7-12)14-10-17-15-9-5-4-8-13(14)15/h4-5,8-9,12,14,17H,2-3,6-7,10H2,1H3.
What are the key properties of 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole has a molecular weight of 268.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 80563100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).