5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile

C22H18N6O — CID 87507471

IUPAC5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile
SMILESCC(C)=NOc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1C#N
InChIInChI=1S/C22H18N6O/c1-15(2)27-29-20-12-11-16(13-17(20)14-23)19-9-6-10-21-25-22(26-28(19)21)24-18-7-4-3-5-8-18/h3-13H,1-2H3,(H,24,26)
InChIKeyFPVNILLOJOSBGX-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.79
Rot. Bonds5

About 5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile

5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile (PubChem CID 87507471) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile.

Molecular Properties

Compound Name5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile
PubChem CID87507471
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile
SMILESCC(C)=NOc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1C#N
InChIInChI=1S/C22H18N6O/c1-15(2)27-29-20-12-11-16(13-17(20)14-23)19-9-6-10-21-25-22(26-28(19)21)24-18-7-4-3-5-8-18/h3-13H,1-2H3,(H,24,26)
InChIKeyFPVNILLOJOSBGX-UHFFFAOYSA-N
XLogP4.79
TPSA87.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186392
5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276560
5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186476
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589968
4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59276580
ethyl 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzenecarboximidate
CID 68587733
5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276394
5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276419
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide
CID 90908307
4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186532
4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506

Frequently Asked Questions

What is the IUPAC name of 5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile?
The IUPAC name of 5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile (CID 87507471) is 5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile.
What is the SMILES notation for 5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile?
The canonical SMILES for 5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile is CC(C)=NOc1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1C#N.
What is the InChIKey of 5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile?
The InChIKey is FPVNILLOJOSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-15(2)27-29-20-12-11-16(13-17(20)14-23)19-9-6-10-21-25-22(26-28(19)21)24-18-7-4-3-5-8-18/h3-13H,1-2H3,(H,24,26).
What are the key properties of 5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile?
5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile has a molecular weight of 382.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(propan-2-ylideneamino)oxybenzonitrile is sourced from PubChem (CID 87507471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).