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

C8H13N5O — CID 130727347

IUPAC7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1[nH]nc2n1CCN(C1CNC1)C2
InChIInChI=1S/C8H13N5O/c14-8-11-10-7-5-12(1-2-13(7)8)6-3-9-4-6/h6,9H,1-5H2,(H,11,14)
InChIKeyPPPBICVOINTVKG-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.64
Rot. Bonds1

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

7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 130727347) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID130727347
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1[nH]nc2n1CCN(C1CNC1)C2
InChIInChI=1S/C8H13N5O/c14-8-11-10-7-5-12(1-2-13(7)8)6-3-9-4-6/h6,9H,1-5H2,(H,11,14)
InChIKeyPPPBICVOINTVKG-UHFFFAOYSA-N
XLogP-1.64
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 130727347) is 7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1[nH]nc2n1CCN(C1CNC1)C2.
What is the InChIKey of 7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is PPPBICVOINTVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c14-8-11-10-7-5-12(1-2-13(7)8)6-3-9-4-6/h6,9H,1-5H2,(H,11,14).
What are the key properties of 7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 195.23 g/mol, XLogP of -1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-3-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 130727347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).