2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide

C14H19N5O2 — CID 61109512

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCN(C)C(=O)Cn2cnc(N)n2)c1
InChIInChI=1S/C14H19N5O2/c1-11-4-3-5-12(8-11)21-7-6-18(2)13(20)9-19-10-16-14(15)17-19/h3-5,8,10H,6-7,9H2,1-2H3,(H2,15,17)
InChIKeyFJVSCCCZKSEMEE-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.71
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 61109512) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID61109512
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCN(C)C(=O)Cn2cnc(N)n2)c1
InChIInChI=1S/C14H19N5O2/c1-11-4-3-5-12(8-11)21-7-6-18(2)13(20)9-19-10-16-14(15)17-19/h3-5,8,10H,6-7,9H2,1-2H3,(H2,15,17)
InChIKeyFJVSCCCZKSEMEE-UHFFFAOYSA-N
XLogP0.71
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide 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

3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119949182
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide
CID 62984459
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869844
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 31667105
2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide
CID 31666859
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 61109512) is 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCN(C)C(=O)Cn2cnc(N)n2)c1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is FJVSCCCZKSEMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11-4-3-5-12(8-11)21-7-6-18(2)13(20)9-19-10-16-14(15)17-19/h3-5,8,10H,6-7,9H2,1-2H3,(H2,15,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 61109512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).