2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

C12H14N4O2 — CID 47303590

IUPAC2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCOC(C)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C12H14N4O2/c1-9(18-2)12(17)15-10-3-5-11(6-4-10)16-8-13-7-14-16/h3-9H,1-2H3,(H,15,17)
InChIKeySYUMNJGPZMQAKN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.24
Rot. Bonds4

About 2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (PubChem CID 47303590) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
PubChem CID47303590
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCOC(C)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C12H14N4O2/c1-9(18-2)12(17)15-10-3-5-11(6-4-10)16-8-13-7-14-16/h3-9H,1-2H3,(H,15,17)
InChIKeySYUMNJGPZMQAKN-UHFFFAOYSA-N
XLogP1.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 134040349
2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 55608786
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
(2R)-2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 98876209
(2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 100686756
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121357
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 55561341
(E)-4-oxo-4-[4-(1,2,4-triazol-1-yl)anilino]but-2-enoic acid
CID 54867041
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate
CID 8653352

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (CID 47303590) is 2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is COC(C)C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The InChIKey is SYUMNJGPZMQAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9(18-2)12(17)15-10-3-5-11(6-4-10)16-8-13-7-14-16/h3-9H,1-2H3,(H,15,17).
What are the key properties of 2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide has a molecular weight of 246.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 47303590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).