N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide

C15H16FN5O2S — CID 46268192

IUPACN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
SMILESCc1cc(C)n2nc(CN(c3ccc(F)cc3)S(C)(=O)=O)nc2n1
InChIInChI=1S/C15H16FN5O2S/c1-10-8-11(2)21-15(17-10)18-14(19-21)9-20(24(3,22)23)13-6-4-12(16)5-7-13/h4-8H,9H2,1-3H3
InChIKeyROMPMMVFRIVDOG-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.85
Rot. Bonds4

About N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide

N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide (PubChem CID 46268192) has the molecular formula C15H16FN5O2S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
PubChem CID46268192
Molecular FormulaC15H16FN5O2S
Molecular Weight349.39 g/mol
Exact Mass349.10
IUPAC NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
SMILESCc1cc(C)n2nc(CN(c3ccc(F)cc3)S(C)(=O)=O)nc2n1
InChIInChI=1S/C15H16FN5O2S/c1-10-8-11(2)21-15(17-10)18-14(19-21)9-20(24(3,22)23)13-6-4-12(16)5-7-13/h4-8H,9H2,1-3H3
InChIKeyROMPMMVFRIVDOG-UHFFFAOYSA-N
XLogP1.85
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide (CID 46268192) is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide is Cc1cc(C)n2nc(CN(c3ccc(F)cc3)S(C)(=O)=O)nc2n1.
What is the InChIKey of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide?
The InChIKey is ROMPMMVFRIVDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2S/c1-10-8-11(2)21-15(17-10)18-14(19-21)9-20(24(3,22)23)13-6-4-12(16)5-7-13/h4-8H,9H2,1-3H3.
What are the key properties of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide?
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide has a molecular weight of 349.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 46268192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).