(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide

C16H18N4O — CID 32581802

IUPAC(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cccc(-c2nncn2CC)c1
InChIInChI=1S/C16H18N4O/c1-3-5-6-10-15(21)18-14-9-7-8-13(11-14)16-19-17-12-20(16)4-2/h3,5-12H,4H2,1-2H3,(H,18,21)/b5-3+,10-6+
InChIKeyQWEMZYMJHVVWQK-YBRHCDHNSA-N
MW282.35 g/mol
LogP3.04
Rot. Bonds5

About (2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide

(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide (PubChem CID 32581802) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide
PubChem CID32581802
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cccc(-c2nncn2CC)c1
InChIInChI=1S/C16H18N4O/c1-3-5-6-10-15(21)18-14-9-7-8-13(11-14)16-19-17-12-20(16)4-2/h3,5-12H,4H2,1-2H3,(H,18,21)/b5-3+,10-6+
InChIKeyQWEMZYMJHVVWQK-YBRHCDHNSA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 31917654
(E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 31916885
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide
CID 32577241
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119856932
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,4-difluorobenzamide
CID 32581867
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 32582171
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
cis-(1S,3R)-3-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065292
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide (CID 32581802) is (2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1cccc(-c2nncn2CC)c1.
What is the InChIKey of (2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide?
The InChIKey is QWEMZYMJHVVWQK-YBRHCDHNSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-5-6-10-15(21)18-14-9-7-8-13(11-14)16-19-17-12-20(16)4-2/h3,5-12H,4H2,1-2H3,(H,18,21)/b5-3+,10-6+.
What are the key properties of (2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide has a molecular weight of 282.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 32581802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).