6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H17N5O3S — CID 166354998

IUPAC6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2nc(C(=O)NC3CC(CS(C)(=O)=O)C3)nn2c1
InChIInChI=1S/C13H17N5O3S/c1-8-5-14-13-16-11(17-18(13)6-8)12(19)15-10-3-9(4-10)7-22(2,20)21/h5-6,9-10H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyMNQCWFYFQMYRGK-UHFFFAOYSA-N
MW323.38 g/mol
LogP-0.01
Rot. Bonds4

About 6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 166354998) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID166354998
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2nc(C(=O)NC3CC(CS(C)(=O)=O)C3)nn2c1
InChIInChI=1S/C13H17N5O3S/c1-8-5-14-13-16-11(17-18(13)6-8)12(19)15-10-3-9(4-10)7-22(2,20)21/h5-6,9-10H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyMNQCWFYFQMYRGK-UHFFFAOYSA-N
XLogP-0.01
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 166354998) is 6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnc2nc(C(=O)NC3CC(CS(C)(=O)=O)C3)nn2c1.
What is the InChIKey of 6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MNQCWFYFQMYRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-8-5-14-13-16-11(17-18(13)6-8)12(19)15-10-3-9(4-10)7-22(2,20)21/h5-6,9-10H,3-4,7H2,1-2H3,(H,15,19).
What are the key properties of 6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 323.38 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(methylsulfonylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166354998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).