N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide

C19H19N5O2S — CID 135419168

IUPACN-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
SMILESCc1ccc(C2C=C(c3ccccc3)Nc3nc(NS(C)(=O)=O)nn32)cc1
InChIInChI=1S/C19H19N5O2S/c1-13-8-10-15(11-9-13)17-12-16(14-6-4-3-5-7-14)20-19-21-18(22-24(17)19)23-27(2,25)26/h3-12,17H,1-2H3,(H2,20,21,22,23)
InChIKeyPHQVHKNFQFBUAU-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.01
Rot. Bonds4

About N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide

N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide (PubChem CID 135419168) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
PubChem CID135419168
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
SMILESCc1ccc(C2C=C(c3ccccc3)Nc3nc(NS(C)(=O)=O)nn32)cc1
InChIInChI=1S/C19H19N5O2S/c1-13-8-10-15(11-9-13)17-12-16(14-6-4-3-5-7-14)20-19-21-18(22-24(17)19)23-27(2,25)26/h3-12,17H,1-2H3,(H2,20,21,22,23)
InChIKeyPHQVHKNFQFBUAU-UHFFFAOYSA-N
XLogP3.01
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide?
The IUPAC name of N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide (CID 135419168) is N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide?
The canonical SMILES for N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide is Cc1ccc(C2C=C(c3ccccc3)Nc3nc(NS(C)(=O)=O)nn32)cc1.
What is the InChIKey of N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide?
The InChIKey is PHQVHKNFQFBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-13-8-10-15(11-9-13)17-12-16(14-6-4-3-5-7-14)20-19-21-18(22-24(17)19)23-27(2,25)26/h3-12,17H,1-2H3,(H2,20,21,22,23).
What are the key properties of N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide?
N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide is sourced from PubChem (CID 135419168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).