1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine

C15H16N4S — CID 62733943

IUPAC1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine
SMILESCn1nc(-c2cccs2)nc1C(N)Cc1ccccc1
InChIInChI=1S/C15H16N4S/c1-19-15(12(16)10-11-6-3-2-4-7-11)17-14(18-19)13-8-5-9-20-13/h2-9,12H,10,16H2,1H3
InChIKeyAIRYERXTOYCMKE-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.79
Rot. Bonds4

About 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine

1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine (PubChem CID 62733943) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine
PubChem CID62733943
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine
SMILESCn1nc(-c2cccs2)nc1C(N)Cc1ccccc1
InChIInChI=1S/C15H16N4S/c1-19-15(12(16)10-11-6-3-2-4-7-11)17-14(18-19)13-8-5-9-20-13/h2-9,12H,10,16H2,1H3
InChIKeyAIRYERXTOYCMKE-UHFFFAOYSA-N
XLogP2.79
TPSA56.73 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine
CID 84682985
N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 62733947
1-[1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 62735249
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]aniline
CID 65345528
3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
CID 65285410
5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine
CID 104902564
1-phenyl-2-(4-thiophen-2-ylphenyl)ethanamine
CID 82542180
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672891
[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 62734137
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62733191
5-[(1S)-1-amino-2-phenylethyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 104902560

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine?
The IUPAC name of 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine (CID 62733943) is 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine?
The canonical SMILES for 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine is Cn1nc(-c2cccs2)nc1C(N)Cc1ccccc1.
What is the InChIKey of 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine?
The InChIKey is AIRYERXTOYCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-19-15(12(16)10-11-6-3-2-4-7-11)17-14(18-19)13-8-5-9-20-13/h2-9,12H,10,16H2,1H3.
What are the key properties of 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine?
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine is sourced from PubChem (CID 62733943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).