N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide

C14H18N4O2 — CID 2228802

IUPACN-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCc1cc(C)cc(OCCNC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C14H18N4O2/c1-3-11-6-10(2)7-12(8-11)20-5-4-15-14(19)13-16-9-17-18-13/h6-9H,3-5H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyHCWKTCVMMLPNFF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.48
Rot. Bonds6

About N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 2228802) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID2228802
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCc1cc(C)cc(OCCNC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C14H18N4O2/c1-3-11-6-10(2)7-12(8-11)20-5-4-15-14(19)13-16-9-17-18-13/h6-9H,3-5H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyHCWKTCVMMLPNFF-UHFFFAOYSA-N
XLogP1.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-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-(2-phenoxyethyl)-1H-1,2,4-triazole-3-carboxamide
CID 2229845
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 586998
1H-[1,2,4]Triazole-3-carboxylic acid [2-(4-tert-butyl-phenoxy)-ethyl]-amide
CID 586912
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42961813
N-((1H-1,2,4-triazol-3-yl)methyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 53319488
1-[2-(3,5-Dimethylphenoxy)ethyl]-1-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53500470
N-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 3551068
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 66635132
N-[2-(4-butoxyphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 2200166
1-{3-[(2-methylprop-2-en-1-yl)oxy]benzyl}-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 46988352
1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 67169073
N-tert-butyl-2-(3,5-dimethylphenoxy)-2-(1,2,4-triazol-1-yl)acetamide
CID 13035700

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 2228802) is N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide is CCc1cc(C)cc(OCCNC(=O)c2ncn[nH]2)c1.
What is the InChIKey of N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HCWKTCVMMLPNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-11-6-10(2)7-12(8-11)20-5-4-15-14(19)13-16-9-17-18-13/h6-9H,3-5H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 2228802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).