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

C12H10N4S — CID 116823236

IUPAC6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1csc2ccccc12
InChIInChI=1S/C12H10N4S/c1-13-12-11(16-15-7-14-12)9-6-17-10-5-3-2-4-8(9)10/h2-7H,1H3,(H,13,14,15)
InChIKeyVKZYFQVZSFCRKR-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.80
Rot. Bonds2

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

6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 116823236) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID116823236
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1csc2ccccc12
InChIInChI=1S/C12H10N4S/c1-13-12-11(16-15-7-14-12)9-6-17-10-5-3-2-4-8(9)10/h2-7H,1H3,(H,13,14,15)
InChIKeyVKZYFQVZSFCRKR-UHFFFAOYSA-N
XLogP2.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823524
3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136899
2-(1-benzothiophen-3-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66295466
2-(1-benzothiophen-3-yl)-N-tri(propan-2-yl)silylaniline
CID 139252450
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 55108350
6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823159
2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897806
2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine
CID 117090654
5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole
CID 170201826
4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine
CID 116831962
3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole
CID 142092132
2-(1-benzothiophen-3-yl)-1-methylpyrrole
CID 134861873

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine (CID 116823236) is 6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine is CNc1ncnnc1-c1csc2ccccc12.
What is the InChIKey of 6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is VKZYFQVZSFCRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-13-12-11(16-15-7-14-12)9-6-17-10-5-3-2-4-8(9)10/h2-7H,1H3,(H,13,14,15).
What are the key properties of 6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine?
6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 242.31 g/mol, XLogP of 2.80, 2 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)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).