N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide

C8H15N5O2S — CID 110722480

IUPACN,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide
SMILESCc1nnc2n1CCN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C8H15N5O2S/c1-7-9-10-8-6-12(4-5-13(7)8)16(14,15)11(2)3/h4-6H2,1-3H3
InChIKeyAHWLUTFYCLGIEN-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.79
Rot. Bonds2

About N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide

N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide (PubChem CID 110722480) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound NameN,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide
PubChem CID110722480
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC NameN,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide
SMILESCc1nnc2n1CCN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C8H15N5O2S/c1-7-9-10-8-6-12(4-5-13(7)8)16(14,15)11(2)3/h4-6H2,1-3H3
InChIKeyAHWLUTFYCLGIEN-UHFFFAOYSA-N
XLogP-0.79
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide?
The IUPAC name of N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide (CID 110722480) is N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide.
What is the SMILES notation for N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide?
The canonical SMILES for N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide is Cc1nnc2n1CCN(S(=O)(=O)N(C)C)C2.
What is the InChIKey of N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide?
The InChIKey is AHWLUTFYCLGIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-7-9-10-8-6-12(4-5-13(7)8)16(14,15)11(2)3/h4-6H2,1-3H3.
What are the key properties of N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide?
N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide has a molecular weight of 245.31 g/mol, XLogP of -0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 110722480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).