N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide

C11H16N6O2S — CID 146128604

IUPACN-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1c1nccn2cnnc12
InChIInChI=1S/C11H16N6O2S/c1-12-20(18,19)7-9-3-2-5-17(9)10-11-15-14-8-16(11)6-4-13-10/h4,6,8-9,12H,2-3,5,7H2,1H3
InChIKeyJAEWAWYUEQWWSF-UHFFFAOYSA-N
MW296.36 g/mol
LogP-0.36
Rot. Bonds4

About N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide

N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide (PubChem CID 146128604) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide
PubChem CID146128604
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC NameN-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1c1nccn2cnnc12
InChIInChI=1S/C11H16N6O2S/c1-12-20(18,19)7-9-3-2-5-17(9)10-11-15-14-8-16(11)6-4-13-10/h4,6,8-9,12H,2-3,5,7H2,1H3
InChIKeyJAEWAWYUEQWWSF-UHFFFAOYSA-N
XLogP-0.36
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine
CID 138009063
1-thiophen-2-yl-2-[(2S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanone
CID 124885634
cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129480645
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine
CID 80506375
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171326342
8-[(2R)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 125136281
1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 166257268
8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 124730441
8-(2-ethylpiperidin-1-yl)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80773843
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054195
8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114682577

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide (CID 146128604) is N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide is CNS(=O)(=O)CC1CCCN1c1nccn2cnnc12.
What is the InChIKey of N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is JAEWAWYUEQWWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-12-20(18,19)7-9-3-2-5-17(9)10-11-15-14-8-16(11)6-4-13-10/h4,6,8-9,12H,2-3,5,7H2,1H3.
What are the key properties of N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide?
N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 296.36 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 146128604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).