N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide

C18H21N5O — CID 142659880

IUPACN-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide
SMILESCCC(CC)C(c1ccc(NC(=O)C2=NC=C2)cc1)n1cncn1
InChIInChI=1S/C18H21N5O/c1-3-13(4-2)17(23-12-19-11-21-23)14-5-7-15(8-6-14)22-18(24)16-9-10-20-16/h5-13,17H,3-4H2,1-2H3,(H,22,24)
InChIKeyNGLIEECIRMIENW-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.21
Rot. Bonds7

About N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide

N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide (PubChem CID 142659880) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide
PubChem CID142659880
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide
SMILESCCC(CC)C(c1ccc(NC(=O)C2=NC=C2)cc1)n1cncn1
InChIInChI=1S/C18H21N5O/c1-3-13(4-2)17(23-12-19-11-21-23)14-5-7-15(8-6-14)22-18(24)16-9-10-20-16/h5-13,17H,3-4H2,1-2H3,(H,22,24)
InChIKeyNGLIEECIRMIENW-UHFFFAOYSA-N
XLogP3.21
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]acetamide
CID 22603030
1-(2-ethyl-1-phenylbutyl)-1,2,4-triazole
CID 140995716
3-[4-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]anilino]-2-fluorophenyl]propanoic acid
CID 154686623
N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-4-(1H-1,2,4-triazol-5-yl)aniline
CID 154686613
2-chloro-5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]pyridine
CID 154686617
5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 43071036
5-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]-1H-indole
CID 154686601
N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943640
N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943467
(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
CID 39730515
6-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]anilino]-1-(2-trimethylsilylethoxymethyl)quinolin-2-one
CID 154686648
N-phenyl-2-(1,2,4-triazol-1-yl)hexanamide
CID 13201024

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide?
The IUPAC name of N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide (CID 142659880) is N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide.
What is the SMILES notation for N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide?
The canonical SMILES for N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide is CCC(CC)C(c1ccc(NC(=O)C2=NC=C2)cc1)n1cncn1.
What is the InChIKey of N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide?
The InChIKey is NGLIEECIRMIENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-13(4-2)17(23-12-19-11-21-23)14-5-7-15(8-6-14)22-18(24)16-9-10-20-16/h5-13,17H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide?
N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]azete-2-carboxamide is sourced from PubChem (CID 142659880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).