5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine

C10H14N4S — CID 2967964

IUPAC5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCCCSc1nnc2nc(C)cc(C)n12
InChIInChI=1S/C10H14N4S/c1-4-5-15-10-13-12-9-11-7(2)6-8(3)14(9)10/h6H,4-5H2,1-3H3
InChIKeyKCHAHDARUHXGKR-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.24
Rot. Bonds3

About 5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine

5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 2967964) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID2967964
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCCCSc1nnc2nc(C)cc(C)n12
InChIInChI=1S/C10H14N4S/c1-4-5-15-10-13-12-9-11-7(2)6-8(3)14(9)10/h6H,4-5H2,1-3H3
InChIKeyKCHAHDARUHXGKR-UHFFFAOYSA-N
XLogP2.24
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 2967964) is 5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine is CCCSc1nnc2nc(C)cc(C)n12.
What is the InChIKey of 5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is KCHAHDARUHXGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-4-5-15-10-13-12-9-11-7(2)6-8(3)14(9)10/h6H,4-5H2,1-3H3.
What are the key properties of 5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine?
5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 222.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-propylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 2967964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).