1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine

C11H10N4S — CID 79508848

IUPAC1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1-c1ccc2sccc2c1
InChIInChI=1S/C11H10N4S/c1-7-11(12)13-14-15(7)9-2-3-10-8(6-9)4-5-16-10/h2-6H,12H2,1H3
InChIKeySFIRKWSIXIPYJO-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.37
Rot. Bonds1

About 1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine

1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine (PubChem CID 79508848) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine
PubChem CID79508848
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1-c1ccc2sccc2c1
InChIInChI=1S/C11H10N4S/c1-7-11(12)13-14-15(7)9-2-3-10-8(6-9)4-5-16-10/h2-6H,12H2,1H3
InChIKeySFIRKWSIXIPYJO-UHFFFAOYSA-N
XLogP2.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine?
The IUPAC name of 1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine (CID 79508848) is 1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine is Cc1c(N)nnn1-c1ccc2sccc2c1.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine?
The InChIKey is SFIRKWSIXIPYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-7-11(12)13-14-15(7)9-2-3-10-8(6-9)4-5-16-10/h2-6H,12H2,1H3.
What are the key properties of 1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine?
1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine has a molecular weight of 230.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine is sourced from PubChem (CID 79508848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).