2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide

C17H13N5O — CID 168523626

IUPAC2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C17H13N5O/c18-11-10-17(23)20-14-6-8-15(9-7-14)22-16(12-19-21-22)13-4-2-1-3-5-13/h1-9,12H,10H2,(H,20,23)
InChIKeyHMPUCAJTKUZMJA-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.79
Rot. Bonds4

About 2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide

2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide (PubChem CID 168523626) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide
PubChem CID168523626
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C17H13N5O/c18-11-10-17(23)20-14-6-8-15(9-7-14)22-16(12-19-21-22)13-4-2-1-3-5-13/h1-9,12H,10H2,(H,20,23)
InChIKeyHMPUCAJTKUZMJA-UHFFFAOYSA-N
XLogP2.79
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-phenyltriazol-1-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168610035
[4-(5-phenyltriazol-1-yl)phenyl]thiourea
CID 169359407
N'-hydroxy-N-[4-(3-phenyltriazol-4-yl)phenyl]octanediamide
CID 24881464
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CID 4607440
N-[4-(5-phenyltriazol-1-yl)phenyl]furan-2-carboxamide
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2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
CID 168524264
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
CID 110470122
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
(1Z)-2-amino-2-imino-N-[4-(5-phenyltriazol-1-yl)anilino]ethanimidoyl cyanide
CID 172979594

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide (CID 168523626) is 2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide is N#CCC(=O)Nc1ccc(-n2nncc2-c2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide?
The InChIKey is HMPUCAJTKUZMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-11-10-17(23)20-14-6-8-15(9-7-14)22-16(12-19-21-22)13-4-2-1-3-5-13/h1-9,12H,10H2,(H,20,23).
What are the key properties of 2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide?
2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 168523626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).