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

C13H18N6O2S — CID 97381575

IUPACN-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnc2n1CCN(Cc1ccccn1)C2
InChIInChI=1S/C13H18N6O2S/c1-22(20,21)15-8-12-16-17-13-10-18(6-7-19(12)13)9-11-4-2-3-5-14-11/h2-5,15H,6-10H2,1H3
InChIKeyGPPOJFVLBUAGAQ-UHFFFAOYSA-N
MW322.39 g/mol
LogP-0.26
Rot. Bonds5

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

N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide (PubChem CID 97381575) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide
PubChem CID97381575
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC NameN-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnc2n1CCN(Cc1ccccn1)C2
InChIInChI=1S/C13H18N6O2S/c1-22(20,21)15-8-12-16-17-13-10-18(6-7-19(12)13)9-11-4-2-3-5-14-11/h2-5,15H,6-10H2,1H3
InChIKeyGPPOJFVLBUAGAQ-UHFFFAOYSA-N
XLogP-0.26
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide (CID 97381575) is N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1nnc2n1CCN(Cc1ccccn1)C2.
What is the InChIKey of N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
The InChIKey is GPPOJFVLBUAGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-22(20,21)15-8-12-16-17-13-10-18(6-7-19(12)13)9-11-4-2-3-5-14-11/h2-5,15H,6-10H2,1H3.
What are the key properties of N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide?
N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide has a molecular weight of 322.39 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97381575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).