N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide

C18H15N5O — CID 94938971

IUPACN-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnc(C#N)c2Cc2ccccc2)c1
InChIInChI=1S/C18H15N5O/c1-13(24)20-15-8-5-9-16(11-15)23-18(17(12-19)21-22-23)10-14-6-3-2-4-7-14/h2-9,11H,10H2,1H3,(H,20,24)
InChIKeyFWENBMUEKXMGIN-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.69
Rot. Bonds4

About N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide

N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide (PubChem CID 94938971) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide
PubChem CID94938971
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnc(C#N)c2Cc2ccccc2)c1
InChIInChI=1S/C18H15N5O/c1-13(24)20-15-8-5-9-16(11-15)23-18(17(12-19)21-22-23)10-14-6-3-2-4-7-14/h2-9,11H,10H2,1H3,(H,20,24)
InChIKeyFWENBMUEKXMGIN-UHFFFAOYSA-N
XLogP2.69
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-1-(3-chlorophenyl)triazole-4-carbonitrile
CID 82200377
5-benzyl-1-(3-nitrophenyl)triazole-4-carbonitrile
CID 82200076
N-[3-(4-cyano-5-pyridin-3-yltriazol-1-yl)phenyl]acetamide
CID 82199346
N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide
CID 82199343
5-[(4-fluorophenyl)methyl]-1-phenyltriazole-4-carbonitrile
CID 82200187
5-benzyl-1-(4-propan-2-ylphenyl)triazole-4-carbonitrile
CID 82197643
N-[3-[4-formyl-5-(2-methylpropyl)triazol-1-yl]phenyl]acetamide
CID 82199338
3-(3-acetamidophenyl)triazole-4-carboxylic acid
CID 82201554
5-benzyl-1-(3-methoxyphenyl)triazole-4-carboxylic acid
CID 94940493
1,5-dibenzyltriazole-4-carbonitrile
CID 82203072
5-[2-(4-methylphenyl)ethyl]-1-phenyltriazole-4-carbonitrile
CID 82200234
3-(5-benzyl-4-formyltriazol-1-yl)benzoic acid
CID 94937809

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide (CID 94938971) is N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide is CC(=O)Nc1cccc(-n2nnc(C#N)c2Cc2ccccc2)c1.
What is the InChIKey of N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide?
The InChIKey is FWENBMUEKXMGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-13(24)20-15-8-5-9-16(11-15)23-18(17(12-19)21-22-23)10-14-6-3-2-4-7-14/h2-9,11H,10H2,1H3,(H,20,24).
What are the key properties of N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide?
N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-benzyl-4-cyanotriazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 94938971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).