5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine

C6H6ClN5S — CID 171980108

IUPAC5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine
SMILESCN(C)c1nc2nsnc2nc1Cl
InChIInChI=1S/C6H6ClN5S/c1-12(2)6-3(7)8-4-5(9-6)11-13-10-4/h1-2H3
InChIKeySJPKZCRKQOCPKG-UHFFFAOYSA-N
MW215.67 g/mol
LogP1.20
Rot. Bonds1

About 5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine

5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 171980108) has the molecular formula C6H6ClN5S and a molecular weight of 215.67 g/mol. Its IUPAC name is 5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine
PubChem CID171980108
Molecular FormulaC6H6ClN5S
Molecular Weight215.67 g/mol
Exact Mass215.00
IUPAC Name5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine
SMILESCN(C)c1nc2nsnc2nc1Cl
InChIInChI=1S/C6H6ClN5S/c1-12(2)6-3(7)8-4-5(9-6)11-13-10-4/h1-2H3
InChIKeySJPKZCRKQOCPKG-UHFFFAOYSA-N
XLogP1.20
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine (CID 171980108) is 5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine is CN(C)c1nc2nsnc2nc1Cl.
What is the InChIKey of 5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is SJPKZCRKQOCPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5S/c1-12(2)6-3(7)8-4-5(9-6)11-13-10-4/h1-2H3.
What are the key properties of 5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine?
5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 215.67 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-dimethyl-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 171980108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).