2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide

C13H17N5O2 — CID 79473385

IUPAC2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCn1cnnc1-c1ccccc1NC(=O)COCCN
InChIInChI=1S/C13H17N5O2/c1-18-9-15-17-13(18)10-4-2-3-5-11(10)16-12(19)8-20-7-6-14/h2-5,9H,6-8,14H2,1H3,(H,16,19)
InChIKeyISXDXXYWTHHXPQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.40
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide

2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 79473385) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID79473385
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCn1cnnc1-c1ccccc1NC(=O)COCCN
InChIInChI=1S/C13H17N5O2/c1-18-9-15-17-13(18)10-4-2-3-5-11(10)16-12(19)8-20-7-6-14/h2-5,9H,6-8,14H2,1H3,(H,16,19)
InChIKeyISXDXXYWTHHXPQ-UHFFFAOYSA-N
XLogP0.40
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60846960
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80543408
2-(cyclopropylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60842162
2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 65224910
2-(2-aminoethoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 79463489
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014344
2-(2-aminoethoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79478921
2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 79474016
2-(2-aminoethoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 79463675
N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441578
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 43706680
3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
CID 64894160

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide (CID 79473385) is 2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide is Cn1cnnc1-c1ccccc1NC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is ISXDXXYWTHHXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18-9-15-17-13(18)10-4-2-3-5-11(10)16-12(19)8-20-7-6-14/h2-5,9H,6-8,14H2,1H3,(H,16,19).
What are the key properties of 2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 79473385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).