7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C11H20N6O4S — CID 167792810

IUPAC7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN(C)S(=O)(=O)NCC(=O)N1CCn2c(CCO)nnc2C1
InChIInChI=1S/C11H20N6O4S/c1-15(2)22(20,21)12-7-11(19)16-4-5-17-9(3-6-18)13-14-10(17)8-16/h12,18H,3-8H2,1-2H3
InChIKeyAKNORTFEJIDBRD-UHFFFAOYSA-N
MW332.39 g/mol
LogP-2.45
Rot. Bonds6

About 7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 167792810) has the molecular formula C11H20N6O4S and a molecular weight of 332.39 g/mol. Its IUPAC name is 7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID167792810
Molecular FormulaC11H20N6O4S
Molecular Weight332.39 g/mol
Exact Mass332.13
IUPAC Name7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN(C)S(=O)(=O)NCC(=O)N1CCn2c(CCO)nnc2C1
InChIInChI=1S/C11H20N6O4S/c1-15(2)22(20,21)12-7-11(19)16-4-5-17-9(3-6-18)13-14-10(17)8-16/h12,18H,3-8H2,1-2H3
InChIKeyAKNORTFEJIDBRD-UHFFFAOYSA-N
XLogP-2.45
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 5-2.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 167792810) is 7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CN(C)S(=O)(=O)NCC(=O)N1CCn2c(CCO)nnc2C1.
What is the InChIKey of 7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AKNORTFEJIDBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O4S/c1-15(2)22(20,21)12-7-11(19)16-4-5-17-9(3-6-18)13-14-10(17)8-16/h12,18H,3-8H2,1-2H3.
What are the key properties of 7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 332.39 g/mol, XLogP of -2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylsulfamoylamino)acetyl]-3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 167792810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).