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

C20H23N5O4S — CID 3320812

IUPACN-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
SMILESCOc1ccc(C2CC(c3ccc(OC)cc3)n3nc(NS(C)(=O)=O)nc3N2)cc1
InChIInChI=1S/C20H23N5O4S/c1-28-15-8-4-13(5-9-15)17-12-18(14-6-10-16(29-2)11-7-14)25-20(21-17)22-19(23-25)24-30(3,26)27/h4-11,17-18H,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyDFFHLYOVNRJNQG-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.81
Rot. Bonds6

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

N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide (PubChem CID 3320812) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
PubChem CID3320812
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC NameN-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
SMILESCOc1ccc(C2CC(c3ccc(OC)cc3)n3nc(NS(C)(=O)=O)nc3N2)cc1
InChIInChI=1S/C20H23N5O4S/c1-28-15-8-4-13(5-9-15)17-12-18(14-6-10-16(29-2)11-7-14)25-20(21-17)22-19(23-25)24-30(3,26)27/h4-11,17-18H,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyDFFHLYOVNRJNQG-UHFFFAOYSA-N
XLogP2.81
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide?
The IUPAC name of N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide (CID 3320812) is N-[5,7-bis(4-methoxyphenyl)-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-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide?
The canonical SMILES for N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide is COc1ccc(C2CC(c3ccc(OC)cc3)n3nc(NS(C)(=O)=O)nc3N2)cc1.
What is the InChIKey of N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide?
The InChIKey is DFFHLYOVNRJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-28-15-8-4-13(5-9-15)17-12-18(14-6-10-16(29-2)11-7-14)25-20(21-17)22-19(23-25)24-30(3,26)27/h4-11,17-18H,12H2,1-3H3,(H2,21,22,23,24).
What are the key properties of N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide?
N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide is sourced from PubChem (CID 3320812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).