3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole

C16H20N4 — CID 72926252

IUPAC3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole
SMILESCCn1nc(C)nc1CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N4/c1-3-20-16(18-12(2)19-20)10-6-7-13-11-17-15-9-5-4-8-14(13)15/h4-5,8-9,11,17H,3,6-7,10H2,1-2H3
InChIKeyURDSWXNKFUWCST-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.26
Rot. Bonds5

About 3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole

3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole (PubChem CID 72926252) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole.

Molecular Properties

Compound Name3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole
PubChem CID72926252
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole
SMILESCCn1nc(C)nc1CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N4/c1-3-20-16(18-12(2)19-20)10-6-7-13-11-17-15-9-5-4-8-14(13)15/h4-5,8-9,11,17H,3,6-7,10H2,1-2H3
InChIKeyURDSWXNKFUWCST-UHFFFAOYSA-N
XLogP3.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 ≤ 103

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Related Compounds

(3S)-3-[5-[3-(1H-indol-3-yl)propyl]-3-methyl-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
CID 97453254
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-heptyl-1H-indole
CID 15360907
3-(4,4-dimethylpentyl)-1H-indole
CID 58756842
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50977958
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 19462809

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole?
The IUPAC name of 3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole (CID 72926252) is 3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole.
What is the SMILES notation for 3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole?
The canonical SMILES for 3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole is CCn1nc(C)nc1CCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole?
The InChIKey is URDSWXNKFUWCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-20-16(18-12(2)19-20)10-6-7-13-11-17-15-9-5-4-8-14(13)15/h4-5,8-9,11,17H,3,6-7,10H2,1-2H3.
What are the key properties of 3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole?
3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole has a molecular weight of 268.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1H-indole is sourced from PubChem (CID 72926252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).