N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide

C15H11N5O2 — CID 82199343

IUPACN-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnc(C#N)c2-c2ccco2)c1
InChIInChI=1S/C15H11N5O2/c1-10(21)17-11-4-2-5-12(8-11)20-15(13(9-16)18-19-20)14-6-3-7-22-14/h2-8H,1H3,(H,17,21)
InChIKeyIPZABVDTPMCHJN-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.36
Rot. Bonds3

About N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide

N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide (PubChem CID 82199343) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide
PubChem CID82199343
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC NameN-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnc(C#N)c2-c2ccco2)c1
InChIInChI=1S/C15H11N5O2/c1-10(21)17-11-4-2-5-12(8-11)20-15(13(9-16)18-19-20)14-6-3-7-22-14/h2-8H,1H3,(H,17,21)
InChIKeyIPZABVDTPMCHJN-UHFFFAOYSA-N
XLogP2.36
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 82197960
N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide
CID 82199346
N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide
CID 94938971
1-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)triazole-4-carbonitrile
CID 82195388
1-(4-chloro-3-nitrophenyl)-5-(furan-2-yl)triazole-4-carbonitrile
CID 94938070
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
1-(3-nitrophenyl)-5-pyridin-4-yltriazole-4-carbonitrile
CID 82200081
N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide
CID 94938963
3-(3-acetamidophenyl)triazole-4-carboxylic acid
CID 82201554
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146122551
N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide
CID 82199338
5-(furan-2-yl)-1-(3-nitrophenyl)triazole-4-carbaldehyde
CID 82200066

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide (CID 82199343) is N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nnc(C#N)c2-c2ccco2)c1.
What is the InChIKey of N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide?
The InChIKey is IPZABVDTPMCHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c1-10(21)17-11-4-2-5-12(8-11)20-15(13(9-16)18-19-20)14-6-3-7-22-14/h2-8H,1H3,(H,17,21).
What are the key properties of N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide?
N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide has a molecular weight of 293.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 82199343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).