2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C13H19N5O — CID 79573346

IUPAC2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCNC1CCCC1CCn1nc2cnccn2c1=O
InChIInChI=1S/C13H19N5O/c1-14-11-4-2-3-10(11)5-7-18-13(19)17-8-6-15-9-12(17)16-18/h6,8-11,14H,2-5,7H2,1H3
InChIKeyYEQCHGOHXLIOJU-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.67
Rot. Bonds4

About 2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 79573346) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID79573346
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCNC1CCCC1CCn1nc2cnccn2c1=O
InChIInChI=1S/C13H19N5O/c1-14-11-4-2-3-10(11)5-7-18-13(19)17-8-6-15-9-12(17)16-18/h6,8-11,14H,2-5,7H2,1H3
InChIKeyYEQCHGOHXLIOJU-UHFFFAOYSA-N
XLogP0.67
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 79573346) is 2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CNC1CCCC1CCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is YEQCHGOHXLIOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-14-11-4-2-3-10(11)5-7-18-13(19)17-8-6-15-9-12(17)16-18/h6,8-11,14H,2-5,7H2,1H3.
What are the key properties of 2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 261.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 79573346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).