6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine

C12H10N4S — CID 116823524

IUPAC6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine
SMILESCc1nnc(-c2csc3ccccc23)c(N)n1
InChIInChI=1S/C12H10N4S/c1-7-14-12(13)11(16-15-7)9-6-17-10-5-3-2-4-8(9)10/h2-6H,1H3,(H2,13,14,15)
InChIKeyJARWGFJJULQCHD-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.64
Rot. Bonds1

About 6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine

6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine (PubChem CID 116823524) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine
PubChem CID116823524
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine
SMILESCc1nnc(-c2csc3ccccc23)c(N)n1
InChIInChI=1S/C12H10N4S/c1-7-14-12(13)11(16-15-7)9-6-17-10-5-3-2-4-8(9)10/h2-6H,1H3,(H2,13,14,15)
InChIKeyJARWGFJJULQCHD-UHFFFAOYSA-N
XLogP2.64
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
CID 66303207
4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine
CID 116831962
2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 55222097
2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine
CID 116864381
4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
CID 116832461
6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine
CID 116823236
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64542695
4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine
CID 116897334
4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
CID 68946010
2-(1-benzothiophen-3-yl)-5-methylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 154889559
3-methyl-1-benzothiophene;zinc
CID 70563074
[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970243

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine (CID 116823524) is 6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine is Cc1nnc(-c2csc3ccccc23)c(N)n1.
What is the InChIKey of 6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine?
The InChIKey is JARWGFJJULQCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-7-14-12(13)11(16-15-7)9-6-17-10-5-3-2-4-8(9)10/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine?
6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine has a molecular weight of 242.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).