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

C13H17N5OS — CID 47393944

IUPACN-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide
SMILESCc1cc(C)n2nc(SCC(=O)N(C)C3CC3)nc2n1
InChIInChI=1S/C13H17N5OS/c1-8-6-9(2)18-12(14-8)15-13(16-18)20-7-11(19)17(3)10-4-5-10/h6,10H,4-5,7H2,1-3H3
InChIKeyRGTBWOVKEQOYOF-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.45
Rot. Bonds4

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

N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide (PubChem CID 47393944) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide
PubChem CID47393944
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide
SMILESCc1cc(C)n2nc(SCC(=O)N(C)C3CC3)nc2n1
InChIInChI=1S/C13H17N5OS/c1-8-6-9(2)18-12(14-8)15-13(16-18)20-7-11(19)17(3)10-4-5-10/h6,10H,4-5,7H2,1-3H3
InChIKeyRGTBWOVKEQOYOF-UHFFFAOYSA-N
XLogP1.45
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide (CID 47393944) is N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide is Cc1cc(C)n2nc(SCC(=O)N(C)C3CC3)nc2n1.
What is the InChIKey of N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide?
The InChIKey is RGTBWOVKEQOYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8-6-9(2)18-12(14-8)15-13(16-18)20-7-11(19)17(3)10-4-5-10/h6,10H,4-5,7H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide?
N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide is sourced from PubChem (CID 47393944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).