2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H16N4O2 — CID 43259758

IUPAC2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCOc1ccc(N)cc1Cn1nc2ccccn2c1=O
InChIInChI=1S/C15H16N4O2/c1-2-21-13-7-6-12(16)9-11(13)10-19-15(20)18-8-4-3-5-14(18)17-19/h3-9H,2,10,16H2,1H3
InChIKeyKHIGNSHLBUCSIW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.53
Rot. Bonds4

About 2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43259758) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43259758
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCOc1ccc(N)cc1Cn1nc2ccccn2c1=O
InChIInChI=1S/C15H16N4O2/c1-2-21-13-7-6-12(16)9-11(13)10-19-15(20)18-8-4-3-5-14(18)17-19/h3-9H,2,10,16H2,1H3
InChIKeyKHIGNSHLBUCSIW-UHFFFAOYSA-N
XLogP1.53
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43259758) is 2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCOc1ccc(N)cc1Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KHIGNSHLBUCSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-21-13-7-6-12(16)9-11(13)10-19-15(20)18-8-4-3-5-14(18)17-19/h3-9H,2,10,16H2,1H3.
What are the key properties of 2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 284.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-ethoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43259758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).