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

C14H18FN5O2S — CID 97381573

IUPACN-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnc2n1CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C14H18FN5O2S/c1-23(21,22)16-8-13-17-18-14-10-19(6-7-20(13)14)9-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3
InChIKeyIAZMHMKNIVCLNA-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.48
Rot. Bonds5

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

N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide (PubChem CID 97381573) has the molecular formula C14H18FN5O2S and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide
PubChem CID97381573
Molecular FormulaC14H18FN5O2S
Molecular Weight339.40 g/mol
Exact Mass339.12
IUPAC NameN-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnc2n1CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C14H18FN5O2S/c1-23(21,22)16-8-13-17-18-14-10-19(6-7-20(13)14)9-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3
InChIKeyIAZMHMKNIVCLNA-UHFFFAOYSA-N
XLogP0.48
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide (CID 97381573) is N-[[7-[(4-fluorophenyl)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-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1nnc2n1CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
The InChIKey is IAZMHMKNIVCLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O2S/c1-23(21,22)16-8-13-17-18-14-10-19(6-7-20(13)14)9-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3.
What are the key properties of N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide has a molecular weight of 339.40 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97381573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).