4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine

C14H14N4O2S — CID 134543008

IUPAC4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cccc(OC)c1-n1c(N)nnc1-c1cccs1
InChIInChI=1S/C14H14N4O2S/c1-19-9-5-3-6-10(20-2)12(9)18-13(16-17-14(18)15)11-7-4-8-21-11/h3-8H,1-2H3,(H2,15,17)
InChIKeyAZPUINZKUQBLBD-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.60
Rot. Bonds4

About 4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine

4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine (PubChem CID 134543008) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine
PubChem CID134543008
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cccc(OC)c1-n1c(N)nnc1-c1cccs1
InChIInChI=1S/C14H14N4O2S/c1-19-9-5-3-6-10(20-2)12(9)18-13(16-17-14(18)15)11-7-4-8-21-11/h3-8H,1-2H3,(H2,15,17)
InChIKeyAZPUINZKUQBLBD-UHFFFAOYSA-N
XLogP2.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine (CID 134543008) is 4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine is COc1cccc(OC)c1-n1c(N)nnc1-c1cccs1.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine?
The InChIKey is AZPUINZKUQBLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-19-9-5-3-6-10(20-2)12(9)18-13(16-17-14(18)15)11-7-4-8-21-11/h3-8H,1-2H3,(H2,15,17).
What are the key properties of 4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine?
4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine has a molecular weight of 302.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 134543008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).