1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone

C11H17N5O — CID 66509713

IUPAC1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nnc2n1CCNC2
InChIInChI=1S/C11H17N5O/c1-8(17)15-5-2-3-9(15)11-14-13-10-7-12-4-6-16(10)11/h9,12H,2-7H2,1H3
InChIKeyQEHDJGMQABIJDO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.06
Rot. Bonds1

About 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone

1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 66509713) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID66509713
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nnc2n1CCNC2
InChIInChI=1S/C11H17N5O/c1-8(17)15-5-2-3-9(15)11-14-13-10-7-12-4-6-16(10)11/h9,12H,2-7H2,1H3
InChIKeyQEHDJGMQABIJDO-UHFFFAOYSA-N
XLogP0.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone (CID 66509713) is 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nnc2n1CCNC2.
What is the InChIKey of 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is QEHDJGMQABIJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8(17)15-5-2-3-9(15)11-14-13-10-7-12-4-6-16(10)11/h9,12H,2-7H2,1H3.
What are the key properties of 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone?
1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 235.29 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 66509713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).