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

C12H17N5OS — CID 757645

IUPAC2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCc1cc(C)n2nc(SCC(=O)NC(C)C)nc2n1
InChIInChI=1S/C12H17N5OS/c1-7(2)13-10(18)6-19-12-15-11-14-8(3)5-9(4)17(11)16-12/h5,7H,6H2,1-4H3,(H,13,18)
InChIKeyKBZUBUIRKURSRM-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.36
Rot. Bonds4

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

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 757645) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID757645
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-propan-2-ylacetamide
SMILESCc1cc(C)n2nc(SCC(=O)NC(C)C)nc2n1
InChIInChI=1S/C12H17N5OS/c1-7(2)13-10(18)6-19-12-15-11-14-8(3)5-9(4)17(11)16-12/h5,7H,6H2,1-4H3,(H,13,18)
InChIKeyKBZUBUIRKURSRM-UHFFFAOYSA-N
XLogP1.36
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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-propan-2-ylacetamide?
The IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide (CID 757645) is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide is Cc1cc(C)n2nc(SCC(=O)NC(C)C)nc2n1.
What is the InChIKey of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is KBZUBUIRKURSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-7(2)13-10(18)6-19-12-15-11-14-8(3)5-9(4)17(11)16-12/h5,7H,6H2,1-4H3,(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-propan-2-ylacetamide?
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 279.37 g/mol, XLogP of 1.36, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 757645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).