4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine

C12H11N5S — CID 165435561

IUPAC4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine
SMILESc1cc2sccc2c(N2CC(n3nccn3)C2)n1
InChIInChI=1S/C12H11N5S/c1-3-13-12(10-2-6-18-11(1)10)16-7-9(8-16)17-14-4-5-15-17/h1-6,9H,7-8H2
InChIKeyYTZHHBLAYOVBCX-UHFFFAOYSA-N
MW257.32 g/mol
LogP1.95
Rot. Bonds2

About 4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine

4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine (PubChem CID 165435561) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine
PubChem CID165435561
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine
SMILESc1cc2sccc2c(N2CC(n3nccn3)C2)n1
InChIInChI=1S/C12H11N5S/c1-3-13-12(10-2-6-18-11(1)10)16-7-9(8-16)17-14-4-5-15-17/h1-6,9H,7-8H2
InChIKeyYTZHHBLAYOVBCX-UHFFFAOYSA-N
XLogP1.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine?
The IUPAC name of 4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine (CID 165435561) is 4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine is c1cc2sccc2c(N2CC(n3nccn3)C2)n1.
What is the InChIKey of 4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine?
The InChIKey is YTZHHBLAYOVBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-3-13-12(10-2-6-18-11(1)10)16-7-9(8-16)17-14-4-5-15-17/h1-6,9H,7-8H2.
What are the key properties of 4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine?
4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine has a molecular weight of 257.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 165435561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).