2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C20H20N4O2 — CID 86888245

IUPAC2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1ccc(N(CCn2nc3ccccn3c2=O)Cc2ccco2)cc1
InChIInChI=1S/C20H20N4O2/c1-16-7-9-17(10-8-16)22(15-18-5-4-14-26-18)12-13-24-20(25)23-11-3-2-6-19(23)21-24/h2-11,14H,12-13,15H2,1H3
InChIKeyIYIOVYOCOVAVOE-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.10
Rot. Bonds6

About 2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 86888245) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID86888245
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1ccc(N(CCn2nc3ccccn3c2=O)Cc2ccco2)cc1
InChIInChI=1S/C20H20N4O2/c1-16-7-9-17(10-8-16)22(15-18-5-4-14-26-18)12-13-24-20(25)23-11-3-2-6-19(23)21-24/h2-11,14H,12-13,15H2,1H3
InChIKeyIYIOVYOCOVAVOE-UHFFFAOYSA-N
XLogP3.10
TPSA55.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134059726
2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 87019419
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 86910738
2-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78962136
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
CID 134007051
N-[1-(furan-2-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007075
2-[2-(prop-2-enylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62564034
2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63656448
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705

Frequently Asked Questions

What is the IUPAC name of 2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 86888245) is 2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1ccc(N(CCn2nc3ccccn3c2=O)Cc2ccco2)cc1.
What is the InChIKey of 2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is IYIOVYOCOVAVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-16-7-9-17(10-8-16)22(15-18-5-4-14-26-18)12-13-24-20(25)23-11-3-2-6-19(23)21-24/h2-11,14H,12-13,15H2,1H3.
What are the key properties of 2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 348.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[N-(furan-2-ylmethyl)-4-methylanilino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 86888245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).