2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C13H16N4OS — CID 136839760

IUPAC2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1csc(C2CCNc3nc(C4CCOC4)nn32)c1
InChIInChI=1S/C13H16N4OS/c1-2-11(19-7-1)10-3-5-14-13-15-12(16-17(10)13)9-4-6-18-8-9/h1-2,7,9-10H,3-6,8H2,(H,14,15,16)
InChIKeyQAAOJXKGMPXHMI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.25
Rot. Bonds2

About 2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136839760) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136839760
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1csc(C2CCNc3nc(C4CCOC4)nn32)c1
InChIInChI=1S/C13H16N4OS/c1-2-11(19-7-1)10-3-5-14-13-15-12(16-17(10)13)9-4-6-18-8-9/h1-2,7,9-10H,3-6,8H2,(H,14,15,16)
InChIKeyQAAOJXKGMPXHMI-UHFFFAOYSA-N
XLogP2.25
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136839760) is 2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is c1csc(C2CCNc3nc(C4CCOC4)nn32)c1.
What is the InChIKey of 2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QAAOJXKGMPXHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-11(19-7-1)10-3-5-14-13-15-12(16-17(10)13)9-4-6-18-8-9/h1-2,7,9-10H,3-6,8H2,(H,14,15,16).
What are the key properties of 2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 276.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).