2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile

C16H11N5O — CID 154773595

IUPAC2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(Cn2nc3ccccn3c2=O)cn2ccccc12
InChIInChI=1S/C16H11N5O/c17-9-13-12(10-19-7-3-1-5-14(13)19)11-21-16(22)20-8-4-2-6-15(20)18-21/h1-8,10H,11H2
InChIKeyBEONSKIYXCNDHY-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.67
Rot. Bonds2

About 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile

2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile (PubChem CID 154773595) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile
PubChem CID154773595
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(Cn2nc3ccccn3c2=O)cn2ccccc12
InChIInChI=1S/C16H11N5O/c17-9-13-12(10-19-7-3-1-5-14(13)19)11-21-16(22)20-8-4-2-6-15(20)18-21/h1-8,10H,11H2
InChIKeyBEONSKIYXCNDHY-UHFFFAOYSA-N
XLogP1.67
TPSA67.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile with MolForge

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Related Compounds

2-fluoro-3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzonitrile
CID 103912270
2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile
CID 75402499
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579366
2-(iodomethyl)indolizine-1-carbonitrile
CID 64786804
2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile
CID 71883676
2-[(4-formylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 62653943
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
2-[(2-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579355
2-[(3-chloro-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618625
2-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579341
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzohydrazide
CID 63577897

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile (CID 154773595) is 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile is N#Cc1c(Cn2nc3ccccn3c2=O)cn2ccccc12.
What is the InChIKey of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile?
The InChIKey is BEONSKIYXCNDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c17-9-13-12(10-19-7-3-1-5-14(13)19)11-21-16(22)20-8-4-2-6-15(20)18-21/h1-8,10H,11H2.
What are the key properties of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile?
2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile has a molecular weight of 289.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 154773595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).