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

C10H18N6O2S — CID 64576901

IUPAC7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(N1CCCNCC1)N1CCn2cnnc2C1
InChIInChI=1S/C10H18N6O2S/c17-19(18,15-4-1-2-11-3-5-15)16-7-6-14-9-12-13-10(14)8-16/h9,11H,1-8H2
InChIKeyXWPRCSKJAGWSJS-UHFFFAOYSA-N
MW286.36 g/mol
LogP-1.37
Rot. Bonds2

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

7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64576901) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64576901
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESO=S(=O)(N1CCCNCC1)N1CCn2cnnc2C1
InChIInChI=1S/C10H18N6O2S/c17-19(18,15-4-1-2-11-3-5-15)16-7-6-14-9-12-13-10(14)8-16/h9,11H,1-8H2
InChIKeyXWPRCSKJAGWSJS-UHFFFAOYSA-N
XLogP-1.37
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64576901) is 7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is O=S(=O)(N1CCCNCC1)N1CCn2cnnc2C1.
What is the InChIKey of 7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XWPRCSKJAGWSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2S/c17-19(18,15-4-1-2-11-3-5-15)16-7-6-14-9-12-13-10(14)8-16/h9,11H,1-8H2.
What are the key properties of 7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 286.36 g/mol, XLogP of -1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-diazepan-1-ylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64576901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).