6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole

C13H16N4 — CID 114689642

IUPAC6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole
SMILESCCCn1nncc1-c1ccc2c(c1)NCC2
InChIInChI=1S/C13H16N4/c1-2-7-17-13(9-15-16-17)11-4-3-10-5-6-14-12(10)8-11/h3-4,8-9,14H,2,5-7H2,1H3
InChIKeyHAYDHXAYSSJVKT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.32
Rot. Bonds3

About 6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole

6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole (PubChem CID 114689642) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole
PubChem CID114689642
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole
SMILESCCCn1nncc1-c1ccc2c(c1)NCC2
InChIInChI=1S/C13H16N4/c1-2-7-17-13(9-15-16-17)11-4-3-10-5-6-14-12(10)8-11/h3-4,8-9,14H,2,5-7H2,1H3
InChIKeyHAYDHXAYSSJVKT-UHFFFAOYSA-N
XLogP2.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-propyltriazol-4-yl)aniline
CID 82205210
7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 81224329
6-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698590
6-(3,4-diethylphenyl)-2,3-dihydro-1H-indole
CID 116698615
3-(3-propyltriazol-4-yl)benzaldehyde
CID 114689705
N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine
CID 114689894
1-[3-(3-propyltriazol-4-yl)phenyl]ethanamine
CID 114689625
6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698588
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
CID 59435381
N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine
CID 114689884
5-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 61377243
2-(3-propyltriazol-4-yl)pyridin-3-ol
CID 136993168

Frequently Asked Questions

What is the IUPAC name of 6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole (CID 114689642) is 6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole is CCCn1nncc1-c1ccc2c(c1)NCC2.
What is the InChIKey of 6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is HAYDHXAYSSJVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-7-17-13(9-15-16-17)11-4-3-10-5-6-14-12(10)8-11/h3-4,8-9,14H,2,5-7H2,1H3.
What are the key properties of 6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole?
6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 228.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propyltriazol-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 114689642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).