2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide

C12H17N5OS — CID 2302369

IUPAC2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C12H17N5OS/c1-4-5-13-10(18)7-19-12-15-11-14-8(2)6-9(3)17(11)16-12/h6H,4-5,7H2,1-3H3,(H,13,18)
InChIKeyZPOMVQHQRAZQHN-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.36
Rot. Bonds5

About 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide (PubChem CID 2302369) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide
PubChem CID2302369
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C12H17N5OS/c1-4-5-13-10(18)7-19-12-15-11-14-8(2)6-9(3)17(11)16-12/h6H,4-5,7H2,1-3H3,(H,13,18)
InChIKeyZPOMVQHQRAZQHN-UHFFFAOYSA-N
XLogP1.36
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide (CID 2302369) is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The InChIKey is ZPOMVQHQRAZQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-5-13-10(18)7-19-12-15-11-14-8(2)6-9(3)17(11)16-12/h6H,4-5,7H2,1-3H3,(H,13,18).
What are the key properties of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide has a molecular weight of 279.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 2302369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).