2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide

C12H14N4O3 — CID 2886278

IUPAC2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O3/c1-8(11(17)15-12-13-7-14-16-12)19-10-5-3-9(18-2)4-6-10/h3-8H,1-2H3,(H2,13,14,15,16,17)
InChIKeyFNEZQOFQEMNJKT-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.22
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide

2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 2886278) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID2886278
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O3/c1-8(11(17)15-12-13-7-14-16-12)19-10-5-3-9(18-2)4-6-10/h3-8H,1-2H3,(H2,13,14,15,16,17)
InChIKeyFNEZQOFQEMNJKT-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenoxy-N-(4H-[1,2,4]triazol-3-yl)-acetamide
CID 555301
2-(2,6-dimethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 650512
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-(2-Tert-butylphenoxy)-N-(4H-1,2,4-triazol-3-YL)acetamide
CID 719144
4-(4-methoxyphenoxy)-N-4H-1,2,4-triazol-3-ylbutanamide
CID 1568913
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(4-Bromophenoxy)-N-(1h-1,2,4-triazol-3-yl)propanamide
CID 2953838
2-(3-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)propanamide
CID 6471361
4-phenoxy-N-(4H-1,2,4-triazol-3-yl)butanamide
CID 1570043
2-(2-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 698936
2-phenoxy-N-(1,2,4-triazol-4-yl)acetamide
CID 818586
2-(2-bromophenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 682757

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 2886278) is 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide is COc1ccc(OC(C)C(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is FNEZQOFQEMNJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8(11(17)15-12-13-7-14-16-12)19-10-5-3-9(18-2)4-6-10/h3-8H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 262.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 2886278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).