N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide

C8H14N4O2S — CID 164641520

IUPACN-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide
SMILESCc1nc2n(n1)C[C@@H](NS(C)(=O)=O)CC2
InChIInChI=1S/C8H14N4O2S/c1-6-9-8-4-3-7(5-12(8)10-6)11-15(2,13)14/h7,11H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyBCWJSGJNYOQCJU-ZETCQYMHSA-N
MW230.29 g/mol
LogP-0.55
Rot. Bonds2

About N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide

N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide (PubChem CID 164641520) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide
PubChem CID164641520
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide
SMILESCc1nc2n(n1)C[C@@H](NS(C)(=O)=O)CC2
InChIInChI=1S/C8H14N4O2S/c1-6-9-8-4-3-7(5-12(8)10-6)11-15(2,13)14/h7,11H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyBCWJSGJNYOQCJU-ZETCQYMHSA-N
XLogP-0.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide?
The IUPAC name of N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide (CID 164641520) is N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide?
The canonical SMILES for N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide is Cc1nc2n(n1)C[C@@H](NS(C)(=O)=O)CC2.
What is the InChIKey of N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide?
The InChIKey is BCWJSGJNYOQCJU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-6-9-8-4-3-7(5-12(8)10-6)11-15(2,13)14/h7,11H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide?
N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanesulfonamide is sourced from PubChem (CID 164641520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).