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

C16H20N4 — CID 104899326

IUPAC(2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCc1nnc([C@@H]2Cc3ccccc3N2)n1C1CCCC1
InChIInChI=1S/C16H20N4/c1-11-18-19-16(20(11)13-7-3-4-8-13)15-10-12-6-2-5-9-14(12)17-15/h2,5-6,9,13,15,17H,3-4,7-8,10H2,1H3/t15-/m0/s1
InChIKeyHIIXSNIPKCFVDA-HNNXBMFYSA-N
MW268.36 g/mol
LogP3.41
Rot. Bonds2

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

(2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (PubChem CID 104899326) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
PubChem CID104899326
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name(2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
SMILESCc1nnc([C@@H]2Cc3ccccc3N2)n1C1CCCC1
InChIInChI=1S/C16H20N4/c1-11-18-19-16(20(11)13-7-3-4-8-13)15-10-12-6-2-5-9-14(12)17-15/h2,5-6,9,13,15,17H,3-4,7-8,10H2,1H3/t15-/m0/s1
InChIKeyHIIXSNIPKCFVDA-HNNXBMFYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole (CID 104899326) is (2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is Cc1nnc([C@@H]2Cc3ccccc3N2)n1C1CCCC1.
What is the InChIKey of (2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is HIIXSNIPKCFVDA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-18-19-16(20(11)13-7-3-4-8-13)15-10-12-6-2-5-9-14(12)17-15/h2,5-6,9,13,15,17H,3-4,7-8,10H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole?
(2S)-2-(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 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 104899326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).