4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine

C15H12N6S — CID 163358074

IUPAC4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1ccn2c(C3CN(c4ncnc5ccsc45)C3)nnc2c1
InChIInChI=1S/C15H12N6S/c1-2-5-21-12(3-1)18-19-14(21)10-7-20(8-10)15-13-11(4-6-22-13)16-9-17-15/h1-6,9-10H,7-8H2
InChIKeyGGQUKCBBZGCXGU-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.34
Rot. Bonds2

About 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine

4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 163358074) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID163358074
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1ccn2c(C3CN(c4ncnc5ccsc45)C3)nnc2c1
InChIInChI=1S/C15H12N6S/c1-2-5-21-12(3-1)18-19-14(21)10-7-20(8-10)15-13-11(4-6-22-13)16-9-17-15/h1-6,9-10H,7-8H2
InChIKeyGGQUKCBBZGCXGU-UHFFFAOYSA-N
XLogP2.34
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine 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 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine (CID 163358074) is 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine is c1ccn2c(C3CN(c4ncnc5ccsc45)C3)nnc2c1.
What is the InChIKey of 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is GGQUKCBBZGCXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-2-5-21-12(3-1)18-19-14(21)10-7-20(8-10)15-13-11(4-6-22-13)16-9-17-15/h1-6,9-10H,7-8H2.
What are the key properties of 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine?
4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 308.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 163358074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).