2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C13H14N6O — CID 66272841

IUPAC2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCNCc2cccnc2)nc2cnccn12
InChIInChI=1S/C13H14N6O/c20-13-18-6-4-16-10-12(18)17-19(13)7-5-15-9-11-2-1-3-14-8-11/h1-4,6,8,10,15H,5,7,9H2
InChIKeyAFLCCDBKKMBDLP-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.08
Rot. Bonds5

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

2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272841) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272841
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCNCc2cccnc2)nc2cnccn12
InChIInChI=1S/C13H14N6O/c20-13-18-6-4-16-10-12(18)17-19(13)7-5-15-9-11-2-1-3-14-8-11/h1-4,6,8,10,15H,5,7,9H2
InChIKeyAFLCCDBKKMBDLP-UHFFFAOYSA-N
XLogP0.08
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273453
2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271539
1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one
CID 62563638
1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione
CID 55155475
3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine;oxalic acid
CID 17052847
2-(4-chlorobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272395
2-[[3-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271315
3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide
CID 66272194
2-(benzotriazol-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62563381
2-[2-(2-aminophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271314
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid
CID 66273458
2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272841) is 2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCNCc2cccnc2)nc2cnccn12.
What is the InChIKey of 2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is AFLCCDBKKMBDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c20-13-18-6-4-16-10-12(18)17-19(13)7-5-15-9-11-2-1-3-14-8-11/h1-4,6,8,10,15H,5,7,9H2.
What are the key properties of 2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 270.30 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).