N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide

C16H12N6O — CID 82199346

IUPACN-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnc(C#N)c2-c2cccnc2)c1
InChIInChI=1S/C16H12N6O/c1-11(23)19-13-5-2-6-14(8-13)22-16(15(9-17)20-21-22)12-4-3-7-18-10-12/h2-8,10H,1H3,(H,19,23)
InChIKeyWFZYESCFHXJYRK-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.16
Rot. Bonds3

About N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide

N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide (PubChem CID 82199346) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide
PubChem CID82199346
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC NameN-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnc(C#N)c2-c2cccnc2)c1
InChIInChI=1S/C16H12N6O/c1-11(23)19-13-5-2-6-14(8-13)22-16(15(9-17)20-21-22)12-4-3-7-18-10-12/h2-8,10H,1H3,(H,19,23)
InChIKeyWFZYESCFHXJYRK-UHFFFAOYSA-N
XLogP2.16
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide (CID 82199346) is N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide is CC(=O)Nc1cccc(-n2nnc(C#N)c2-c2cccnc2)c1.
What is the InChIKey of N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide?
The InChIKey is WFZYESCFHXJYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c1-11(23)19-13-5-2-6-14(8-13)22-16(15(9-17)20-21-22)12-4-3-7-18-10-12/h2-8,10H,1H3,(H,19,23).
What are the key properties of N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide?
N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide has a molecular weight of 304.31 g/mol, XLogP of 2.16, 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-pyridin-3-yltriazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 82199346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).