2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

C12H14N4O3 — CID 83093707

IUPAC2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(OC)n[nH]2)cc1
InChIInChI=1S/C12H14N4O3/c1-18-9-5-3-8(4-6-9)7-10(17)13-11-14-12(19-2)16-15-11/h3-6H,7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeySXMBWXGPCOHCQX-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.00
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 83093707) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID83093707
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(OC)n[nH]2)cc1
InChIInChI=1S/C12H14N4O3/c1-18-9-5-3-8(4-6-9)7-10(17)13-11-14-12(19-2)16-15-11/h3-6H,7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeySXMBWXGPCOHCQX-UHFFFAOYSA-N
XLogP1.00
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-2-ylacetamide
CID 83101826
2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093520
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83101153
4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
CID 83095957
4-(chloromethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83102350
(E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 83101611
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 154786179
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603304
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide
CID 112603305

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 83093707) is 2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is COc1ccc(CC(=O)Nc2nc(OC)n[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is SXMBWXGPCOHCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-9-5-3-8(4-6-9)7-10(17)13-11-14-12(19-2)16-15-11/h3-6H,7H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 262.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 83093707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).