5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine

C10H14N6O2S — CID 138005435

IUPAC5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCn2nncc2C1
InChIInChI=1S/C10H14N6O2S/c1-8-10(7-14(2)12-8)19(17,18)15-3-4-16-9(6-15)5-11-13-16/h5,7H,3-4,6H2,1-2H3
InChIKeyMYNQKEBZKXQCSC-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.48
Rot. Bonds2

About 5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine

5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine (PubChem CID 138005435) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
PubChem CID138005435
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCn2nncc2C1
InChIInChI=1S/C10H14N6O2S/c1-8-10(7-14(2)12-8)19(17,18)15-3-4-16-9(6-15)5-11-13-16/h5,7H,3-4,6H2,1-2H3
InChIKeyMYNQKEBZKXQCSC-UHFFFAOYSA-N
XLogP-0.48
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine (CID 138005435) is 5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine is Cc1nn(C)cc1S(=O)(=O)N1CCn2nncc2C1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The InChIKey is MYNQKEBZKXQCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-8-10(7-14(2)12-8)19(17,18)15-3-4-16-9(6-15)5-11-13-16/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine has a molecular weight of 282.33 g/mol, XLogP of -0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine is sourced from PubChem (CID 138005435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).