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

C12H21N5 — CID 64576331

IUPAC7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1nnc2n1CCN(CCCC1CCCN1)C2
InChIInChI=1S/C12H21N5/c1-3-11(13-5-1)4-2-6-16-7-8-17-10-14-15-12(17)9-16/h10-11,13H,1-9H2
InChIKeyHHCVZASRXDMLCD-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.63
Rot. Bonds4

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

7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64576331) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64576331
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1nnc2n1CCN(CCCC1CCCN1)C2
InChIInChI=1S/C12H21N5/c1-3-11(13-5-1)4-2-6-16-7-8-17-10-14-15-12(17)9-16/h10-11,13H,1-9H2
InChIKeyHHCVZASRXDMLCD-UHFFFAOYSA-N
XLogP0.63
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64576331) is 7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1nnc2n1CCN(CCCC1CCCN1)C2.
What is the InChIKey of 7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HHCVZASRXDMLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-11(13-5-1)4-2-6-16-7-8-17-10-14-15-12(17)9-16/h10-11,13H,1-9H2.
What are the key properties of 7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 235.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-pyrrolidin-2-ylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64576331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).