1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole

C16H20N4O — CID 83166124

IUPAC1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2Cc1ncnn1CC
InChIInChI=1S/C16H20N4O/c1-3-10-21-15-7-5-6-14-13(15)8-9-19(14)11-16-17-12-18-20(16)4-2/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyGEYKCGQIPACJRW-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.09
Rot. Bonds6

About 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole (PubChem CID 83166124) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole.

Molecular Properties

Compound Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole
PubChem CID83166124
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2Cc1ncnn1CC
InChIInChI=1S/C16H20N4O/c1-3-10-21-15-7-5-6-14-13(15)8-9-19(14)11-16-17-12-18-20(16)4-2/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyGEYKCGQIPACJRW-UHFFFAOYSA-N
XLogP3.09
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-bromophenyl)methyl]-4-propoxyindole
CID 83166128
4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole
CID 82795063
4-[(4-propoxyindol-1-yl)methyl]phenol
CID 83166122
3-methyl-4-[(4-propoxyindol-1-yl)methyl]-1,2,5-oxadiazole
CID 83174184
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
1-[(3-fluorophenyl)methyl]-4-propoxyindole
CID 83166118
1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
CID 102879190
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
4-nitro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole
CID 116623428
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole?
The IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole (CID 83166124) is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole.
What is the SMILES notation for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole?
The canonical SMILES for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole is CCCOc1cccc2c1ccn2Cc1ncnn1CC.
What is the InChIKey of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole?
The InChIKey is GEYKCGQIPACJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-10-21-15-7-5-6-14-13(15)8-9-19(14)11-16-17-12-18-20(16)4-2/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole?
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole has a molecular weight of 284.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole is sourced from PubChem (CID 83166124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).