2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide

C17H11N5O2 — CID 17416741

IUPAC2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide
SMILESN#Cc1nncn1CC(=O)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H11N5O2/c18-8-16-21-19-10-22(16)9-17(23)20-11-5-6-15-13(7-11)12-3-1-2-4-14(12)24-15/h1-7,10H,9H2,(H,20,23)
InChIKeyZQRPSGPALBLMPF-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.69
Rot. Bonds3

About 2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide

2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide (PubChem CID 17416741) has the molecular formula C17H11N5O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide
PubChem CID17416741
Molecular FormulaC17H11N5O2
Molecular Weight317.31 g/mol
Exact Mass317.09
IUPAC Name2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide
SMILESN#Cc1nncn1CC(=O)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H11N5O2/c18-8-16-21-19-10-22(16)9-17(23)20-11-5-6-15-13(7-11)12-3-1-2-4-14(12)24-15/h1-7,10H,9H2,(H,20,23)
InChIKeyZQRPSGPALBLMPF-UHFFFAOYSA-N
XLogP2.69
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzofuran-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8569408
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 51288268
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320
N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552342
N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3153108
N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide
CID 16552293
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8555634
N-dibenzofuran-2-yl-2,2,2-trifluoroacetamide
CID 5196274
N-dibenzofuran-2-ylformamide
CID 64992528
[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 8521511
N-dibenzofuran-2-yl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8519906

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide (CID 17416741) is 2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide is N#Cc1nncn1CC(=O)Nc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide?
The InChIKey is ZQRPSGPALBLMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2/c18-8-16-21-19-10-22(16)9-17(23)20-11-5-6-15-13(7-11)12-3-1-2-4-14(12)24-15/h1-7,10H,9H2,(H,20,23).
What are the key properties of 2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide?
2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide has a molecular weight of 317.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide is sourced from PubChem (CID 17416741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).