3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine

C13H12N4OS — CID 82370290

IUPAC3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine
SMILESCOc1cccc(-n2nnc(-c3cccs3)c2N)c1
InChIInChI=1S/C13H12N4OS/c1-18-10-5-2-4-9(8-10)17-13(14)12(15-16-17)11-6-3-7-19-11/h2-8H,14H2,1H3
InChIKeyVBXRQYZGQPZOAP-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.59
Rot. Bonds3

About 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine

3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine (PubChem CID 82370290) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine
PubChem CID82370290
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine
SMILESCOc1cccc(-n2nnc(-c3cccs3)c2N)c1
InChIInChI=1S/C13H12N4OS/c1-18-10-5-2-4-9(8-10)17-13(14)12(15-16-17)11-6-3-7-19-11/h2-8H,14H2,1H3
InChIKeyVBXRQYZGQPZOAP-UHFFFAOYSA-N
XLogP2.59
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
3-(4-tert-butylphenyl)-5-thiophen-2-yltriazol-4-amine
CID 82370466
4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol
CID 82369948
5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
CID 82370298
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
CID 79501179
6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42668390
3-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370354
1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 114798384
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 45499510
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine?
The IUPAC name of 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine (CID 82370290) is 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine is COc1cccc(-n2nnc(-c3cccs3)c2N)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine?
The InChIKey is VBXRQYZGQPZOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-18-10-5-2-4-9(8-10)17-13(14)12(15-16-17)11-6-3-7-19-11/h2-8H,14H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine?
3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine has a molecular weight of 272.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine is sourced from PubChem (CID 82370290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).