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

C14H14N4S — CID 63654749

IUPAC4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
SMILESCc1ccc(N)cc1-c1nc(-c2cccs2)nn1C
InChIInChI=1S/C14H14N4S/c1-9-5-6-10(15)8-11(9)14-16-13(17-18(14)2)12-4-3-7-19-12/h3-8H,15H2,1-2H3
InChIKeyPMJNSQLJMLHXFW-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.10
Rot. Bonds2

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

4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline (PubChem CID 63654749) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
PubChem CID63654749
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
SMILESCc1ccc(N)cc1-c1nc(-c2cccs2)nn1C
InChIInChI=1S/C14H14N4S/c1-9-5-6-10(15)8-11(9)14-16-13(17-18(14)2)12-4-3-7-19-12/h3-8H,15H2,1-2H3
InChIKeyPMJNSQLJMLHXFW-UHFFFAOYSA-N
XLogP3.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62734324
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
4,5-difluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62867498
4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 62732446
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]aniline
CID 65345528
4-methyl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 63654751
3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733008
4-methyl-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)aniline
CID 63653874
1-methyl-2-thiophen-2-ylbenzimidazol-5-amine
CID 615219
1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 142691977
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62733191
3-bromo-1-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 135039838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline (CID 63654749) is 4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline is Cc1ccc(N)cc1-c1nc(-c2cccs2)nn1C.
What is the InChIKey of 4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline?
The InChIKey is PMJNSQLJMLHXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-5-6-10(15)8-11(9)14-16-13(17-18(14)2)12-4-3-7-19-12/h3-8H,15H2,1-2H3.
What are the key properties of 4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline?
4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline has a molecular weight of 270.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 63654749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).