2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C12H17N5O — CID 104747901

IUPAC2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNC(Cn1nc2cnccn2c1=O)C1CCCC1
InChIInChI=1S/C12H17N5O/c13-10(9-3-1-2-4-9)8-17-12(18)16-6-5-14-7-11(16)15-17/h5-7,9-10H,1-4,8,13H2
InChIKeyYQQBZZZMDSSZDO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.41
Rot. Bonds3

About 2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 104747901) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID104747901
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNC(Cn1nc2cnccn2c1=O)C1CCCC1
InChIInChI=1S/C12H17N5O/c13-10(9-3-1-2-4-9)8-17-12(18)16-6-5-14-7-11(16)15-17/h5-7,9-10H,1-4,8,13H2
InChIKeyYQQBZZZMDSSZDO-UHFFFAOYSA-N
XLogP0.41
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 103934851
2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271324
2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273453
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271542
2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 79570475
2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272397
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid
CID 66273458
2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 127863676
2-[[1-(bromomethyl)cycloheptyl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273035
3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide
CID 66272194
2-[2-(propylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271749
2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 79573346

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 104747901) is 2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is NC(Cn1nc2cnccn2c1=O)C1CCCC1.
What is the InChIKey of 2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is YQQBZZZMDSSZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-10(9-3-1-2-4-9)8-17-12(18)16-6-5-14-7-11(16)15-17/h5-7,9-10H,1-4,8,13H2.
What are the key properties of 2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 247.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-cyclopentylethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 104747901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).