6-(4-thiophen-2-yltriazol-1-yl)isoquinoline

C15H10N4S — CID 162647891

IUPAC6-(4-thiophen-2-yltriazol-1-yl)isoquinoline
SMILESc1csc(-c2cn(-c3ccc4cnccc4c3)nn2)c1
InChIInChI=1S/C15H10N4S/c1-2-15(20-7-1)14-10-19(18-17-14)13-4-3-12-9-16-6-5-11(12)8-13/h1-10H
InChIKeyKRWCLABVRZAGHV-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.54
Rot. Bonds2

About 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline

6-(4-thiophen-2-yltriazol-1-yl)isoquinoline (PubChem CID 162647891) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline.

Molecular Properties

Compound Name6-(4-thiophen-2-yltriazol-1-yl)isoquinoline
PubChem CID162647891
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name6-(4-thiophen-2-yltriazol-1-yl)isoquinoline
SMILESc1csc(-c2cn(-c3ccc4cnccc4c3)nn2)c1
InChIInChI=1S/C15H10N4S/c1-2-15(20-7-1)14-10-19(18-17-14)13-4-3-12-9-16-6-5-11(12)8-13/h1-10H
InChIKeyKRWCLABVRZAGHV-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline?
The IUPAC name of 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline (CID 162647891) is 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline.
What is the SMILES notation for 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline?
The canonical SMILES for 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline is c1csc(-c2cn(-c3ccc4cnccc4c3)nn2)c1.
What is the InChIKey of 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline?
The InChIKey is KRWCLABVRZAGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c1-2-15(20-7-1)14-10-19(18-17-14)13-4-3-12-9-16-6-5-11(12)8-13/h1-10H.
What are the key properties of 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline?
6-(4-thiophen-2-yltriazol-1-yl)isoquinoline has a molecular weight of 278.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-thiophen-2-yltriazol-1-yl)isoquinoline is sourced from PubChem (CID 162647891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).