7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C7H12N4S — CID 137456734

IUPAC7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCSc1nnc2n1CCN(C)C2
InChIInChI=1S/C7H12N4S/c1-10-3-4-11-6(5-10)8-9-7(11)12-2/h3-5H2,1-2H3
InChIKeyPKFXSGXAMFHJPD-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.45
Rot. Bonds1

About 7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 137456734) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID137456734
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCSc1nnc2n1CCN(C)C2
InChIInChI=1S/C7H12N4S/c1-10-3-4-11-6(5-10)8-9-7(11)12-2/h3-5H2,1-2H3
InChIKeyPKFXSGXAMFHJPD-UHFFFAOYSA-N
XLogP0.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 137456734) is 7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CSc1nnc2n1CCN(C)C2.
What is the InChIKey of 7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PKFXSGXAMFHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-10-3-4-11-6(5-10)8-9-7(11)12-2/h3-5H2,1-2H3.
What are the key properties of 7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 184.27 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 137456734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).