4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline

C15H16N4S — CID 43686655

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1ccc(-c2nncn2C)cc1)c1cccs1
InChIInChI=1S/C15H16N4S/c1-11(14-4-3-9-20-14)17-13-7-5-12(6-8-13)15-18-16-10-19(15)2/h3-11,17H,1-2H3
InChIKeyRQYGREYURSBPRO-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.72
Rot. Bonds4

About 4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline

4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43686655) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43686655
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1ccc(-c2nncn2C)cc1)c1cccs1
InChIInChI=1S/C15H16N4S/c1-11(14-4-3-9-20-14)17-13-7-5-12(6-8-13)15-18-16-10-19(15)2/h3-11,17H,1-2H3
InChIKeyRQYGREYURSBPRO-UHFFFAOYSA-N
XLogP3.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43738674
4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43704849
N-[1-(1-methylcyclopropyl)ethyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686643
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738659
N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63084928
N-(1-thiophen-2-ylethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692000
1,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrazol-3-amine
CID 115922060
3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43683983
N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686586
3-(4-bromophenyl)-4-methyl-1,2,4-triazole
CID 79014882
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 106757445

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline (CID 43686655) is 4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline is CC(Nc1ccc(-c2nncn2C)cc1)c1cccs1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is RQYGREYURSBPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11(14-4-3-9-20-14)17-13-7-5-12(6-8-13)15-18-16-10-19(15)2/h3-11,17H,1-2H3.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline?
4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 284.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43686655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).