2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide

C12H14N4O2 — CID 6471361

IUPAC2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C12H14N4O2/c1-8-4-3-5-10(6-8)18-9(2)11(17)15-12-13-7-14-16-12/h3-7,9H,1-2H3,(H2,13,14,15,16,17)
InChIKeyCJNPKJOVINRYLX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.52
Rot. Bonds4

About 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide

2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 6471361) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID6471361
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C12H14N4O2/c1-8-4-3-5-10(6-8)18-9(2)11(17)15-12-13-7-14-16-12/h3-7,9H,1-2H3,(H2,13,14,15,16,17)
InChIKeyCJNPKJOVINRYLX-UHFFFAOYSA-N
XLogP1.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 704205
2-Phenoxy-N-(4H-[1,2,4]triazol-3-yl)-acetamide
CID 555301
N-tert-butyl-2-{4-[(1H-1,2,4-triazol-3-ylamino)methyl]phenoxy}acetamide
CID 962363
2-(4-chloro-2-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 720861
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
2-(2-bromo-4-ethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 7375770
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
2-(2-bromo-4-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719106
2-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2953838

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 6471361) is 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide is Cc1cccc(OC(C)C(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is CJNPKJOVINRYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-4-3-5-10(6-8)18-9(2)11(17)15-12-13-7-14-16-12/h3-7,9H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide?
2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 246.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 6471361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).