N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide

C15H21N5O3S — CID 97381574

IUPACN-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide
SMILESCOc1ccc(CN2CCn3c(CNS(C)(=O)=O)nnc3C2)cc1
InChIInChI=1S/C15H21N5O3S/c1-23-13-5-3-12(4-6-13)10-19-7-8-20-14(9-16-24(2,21)22)17-18-15(20)11-19/h3-6,16H,7-11H2,1-2H3
InChIKeySDLWBDWRUHAQPC-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.35
Rot. Bonds6

About N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide

N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide (PubChem CID 97381574) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide
PubChem CID97381574
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide
SMILESCOc1ccc(CN2CCn3c(CNS(C)(=O)=O)nnc3C2)cc1
InChIInChI=1S/C15H21N5O3S/c1-23-13-5-3-12(4-6-13)10-19-7-8-20-14(9-16-24(2,21)22)17-18-15(20)11-19/h3-6,16H,7-11H2,1-2H3
InChIKeySDLWBDWRUHAQPC-UHFFFAOYSA-N
XLogP0.35
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide (CID 97381574) is N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide is COc1ccc(CN2CCn3c(CNS(C)(=O)=O)nnc3C2)cc1.
What is the InChIKey of N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
The InChIKey is SDLWBDWRUHAQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-23-13-5-3-12(4-6-13)10-19-7-8-20-14(9-16-24(2,21)22)17-18-15(20)11-19/h3-6,16H,7-11H2,1-2H3.
What are the key properties of N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97381574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).