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

C10H17N5O2S — CID 64574877

IUPAC7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(C1CCCNC1)N1CCn2cnnc2C1
InChIInChI=1S/C10H17N5O2S/c16-18(17,9-2-1-3-11-6-9)15-5-4-14-8-12-13-10(14)7-15/h8-9,11H,1-7H2
InChIKeyPVXHIHPYTNNUJF-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.82
Rot. Bonds2

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

7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64574877) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64574877
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(C1CCCNC1)N1CCn2cnnc2C1
InChIInChI=1S/C10H17N5O2S/c16-18(17,9-2-1-3-11-6-9)15-5-4-14-8-12-13-10(14)7-15/h8-9,11H,1-7H2
InChIKeyPVXHIHPYTNNUJF-UHFFFAOYSA-N
XLogP-0.82
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64574877) is 7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is O=S(=O)(C1CCCNC1)N1CCn2cnnc2C1.
What is the InChIKey of 7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PVXHIHPYTNNUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c16-18(17,9-2-1-3-11-6-9)15-5-4-14-8-12-13-10(14)7-15/h8-9,11H,1-7H2.
What are the key properties of 7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 271.35 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-3-ylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64574877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).