2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H20N4O2 — CID 62936473

IUPAC2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCc1ccccc1OCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H20N4O2/c16-11-12-5-1-2-6-13(12)21-10-9-19-15(20)18-8-4-3-7-14(18)17-19/h1-2,5-6H,3-4,7-11,16H2
InChIKeyVZNWUGHFQPIBRZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.92
Rot. Bonds5

About 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 62936473) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID62936473
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCc1ccccc1OCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C15H20N4O2/c16-11-12-5-1-2-6-13(12)21-10-9-19-15(20)18-8-4-3-7-14(18)17-19/h1-2,5-6H,3-4,7-11,16H2
InChIKeyVZNWUGHFQPIBRZ-UHFFFAOYSA-N
XLogP0.92
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile
CID 62937510
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 106785955
4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 55960145
2-(3-oxo-3-phenylpropyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 116691903
(2-propan-2-ylphenyl) 2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetate
CID 86925316
2-methyl-1-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-(2-phenoxyethyl)guanidine
CID 111006539
1-ethyl-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111848086
2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-N-(2-phenoxyphenyl)acetamide
CID 39677422
4-[2-[2-(aminomethyl)phenoxy]ethyl]piperazine-2,6-dione
CID 66085454
2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 55859744
2-(5-hydroxypentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62937871

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 62936473) is 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is NCc1ccccc1OCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is VZNWUGHFQPIBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-11-12-5-1-2-6-13(12)21-10-9-19-15(20)18-8-4-3-7-14(18)17-19/h1-2,5-6H,3-4,7-11,16H2.
What are the key properties of 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 288.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 62936473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).