N-ethyl-2-(4-phenyltriazol-1-yl)acetamide

C12H14N4O — CID 53317360

IUPACN-ethyl-2-(4-phenyltriazol-1-yl)acetamide
SMILESCCNC(=O)Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C12H14N4O/c1-2-13-12(17)9-16-8-11(14-15-16)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,13,17)
InChIKeyWPXJHKNQJFBURS-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.08
Rot. Bonds4

About N-ethyl-2-(4-phenyltriazol-1-yl)acetamide

N-ethyl-2-(4-phenyltriazol-1-yl)acetamide (PubChem CID 53317360) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-ethyl-2-(4-phenyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-phenyltriazol-1-yl)acetamide
PubChem CID53317360
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-ethyl-2-(4-phenyltriazol-1-yl)acetamide
SMILESCCNC(=O)Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C12H14N4O/c1-2-13-12(17)9-16-8-11(14-15-16)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,13,17)
InChIKeyWPXJHKNQJFBURS-UHFFFAOYSA-N
XLogP1.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-phenyl-1H-1,2,3-triazole
CID 11309663
(2S)-2-acetamido-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
CID 155531034
(2S)-1-[(2S)-2-amino-3-[4-(1-methyltriazol-4-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 73349143
Ethyl 2-(4-phenyltriazol-1-yl)acetate
CID 1228917
2-(1H-1,2,3-benzotriazol-1-yl)-N-benzylacetamide
CID 733623
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 6483908
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 24818965
6-(Phenyl)triazolylhexahydroxamic acid
CID 25014636
7-(Phenyl)triazolylheptahydroxamic acid
CID 25014637
8-(Phenyl)triazolyloctahydroxamic acid
CID 25068424
5-(Phenyl)triazolylpentahydroxamic acid
CID 44585337
6-(4-Tolyl)triazolylhexahydroxamic acid
CID 44585348

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-phenyltriazol-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(4-phenyltriazol-1-yl)acetamide (CID 53317360) is N-ethyl-2-(4-phenyltriazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-phenyltriazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(4-phenyltriazol-1-yl)acetamide is CCNC(=O)Cn1cc(-c2ccccc2)nn1.
What is the InChIKey of N-ethyl-2-(4-phenyltriazol-1-yl)acetamide?
The InChIKey is WPXJHKNQJFBURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-13-12(17)9-16-8-11(14-15-16)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,13,17).
What are the key properties of N-ethyl-2-(4-phenyltriazol-1-yl)acetamide?
N-ethyl-2-(4-phenyltriazol-1-yl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-phenyltriazol-1-yl)acetamide is sourced from PubChem (CID 53317360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).