N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide

C18H19N5O2S — CID 3796055

IUPACN-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nc2n(n1)C(c1ccccc1)CC(c1ccccc1)N2
InChIInChI=1S/C18H19N5O2S/c1-26(24,25)22-17-20-18-19-15(13-8-4-2-5-9-13)12-16(23(18)21-17)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3,(H2,19,20,21,22)
InChIKeyKISCFENOGNFEAC-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.80
Rot. Bonds4

About N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide

N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide (PubChem CID 3796055) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide
PubChem CID3796055
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nc2n(n1)C(c1ccccc1)CC(c1ccccc1)N2
InChIInChI=1S/C18H19N5O2S/c1-26(24,25)22-17-20-18-19-15(13-8-4-2-5-9-13)12-16(23(18)21-17)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3,(H2,19,20,21,22)
InChIKeyKISCFENOGNFEAC-UHFFFAOYSA-N
XLogP2.80
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-Diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 598916
5,7-Bis(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 663132
7-(4-Ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3794549
4-methyl-N-(5-methyl-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
CID 2921310
5-(4-Fluorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2947163
7-(3-Methylphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2947181
5-(4-Fluorophenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3345560
5-(4-Fluorophenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3578092
7-(3-Methylphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3691795
7-(2-Methylphenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3746404
7-(2-Methylphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3768502
5-(4-Methylphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 4594411

Frequently Asked Questions

What is the IUPAC name of N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide?
The IUPAC name of N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide (CID 3796055) is N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide?
The canonical SMILES for N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide is CS(=O)(=O)Nc1nc2n(n1)C(c1ccccc1)CC(c1ccccc1)N2.
What is the InChIKey of N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide?
The InChIKey is KISCFENOGNFEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-26(24,25)22-17-20-18-19-15(13-8-4-2-5-9-13)12-16(23(18)21-17)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide?
N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide is sourced from PubChem (CID 3796055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).