4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile

C15H16N4O2 — CID 62937510

IUPAC4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCn2nc3n(c2=O)CCCC3)cc1
InChIInChI=1S/C15H16N4O2/c16-11-12-4-6-13(7-5-12)21-10-9-19-15(20)18-8-2-1-3-14(18)17-19/h4-7H,1-3,8-10H2
InChIKeyGHKSNPQLGOWCCY-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.33
Rot. Bonds4

About 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile

4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile (PubChem CID 62937510) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile
PubChem CID62937510
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCn2nc3n(c2=O)CCCC3)cc1
InChIInChI=1S/C15H16N4O2/c16-11-12-4-6-13(7-5-12)21-10-9-19-15(20)18-8-2-1-3-14(18)17-19/h4-7H,1-3,8-10H2
InChIKeyGHKSNPQLGOWCCY-UHFFFAOYSA-N
XLogP1.33
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile with MolForge

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Related Compounds

2-[2-[2-(aminomethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936473
N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 39861955
3-cyano-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzenesulfonamide
CID 55766600
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine;hydroiodide
CID 111277006
4-[2-(3-methoxy-6-oxopyridazin-1-yl)ethoxy]benzonitrile
CID 105061774
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
2-(5-hydroxypentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62937871
4-[2-(5-oxo-4-phenyltetrazol-1-yl)ethoxy]benzonitrile
CID 17481456
2-(3-oxo-3-phenylpropyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 116691903
3-[2-(2-oxoazocan-1-yl)ethoxy]benzonitrile
CID 43289123
2-[(6-chloropyridazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 113421364
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 55968218

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile (CID 62937510) is 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile is N#Cc1ccc(OCCn2nc3n(c2=O)CCCC3)cc1.
What is the InChIKey of 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile?
The InChIKey is GHKSNPQLGOWCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-11-12-4-6-13(7-5-12)21-10-9-19-15(20)18-8-2-1-3-14(18)17-19/h4-7H,1-3,8-10H2.
What are the key properties of 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile?
4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethoxy]benzonitrile is sourced from PubChem (CID 62937510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).