2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C14H15N5O2 — CID 103716433

IUPAC2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C14H15N5O2/c1-9(13-16-8-17-19-13)18-14(20)10(2)21-12-6-4-3-5-11(12)7-15/h3-6,8-10H,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyDCZQBWPUIARLGS-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.32
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 103716433) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID103716433
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C14H15N5O2/c1-9(13-16-8-17-19-13)18-14(20)10(2)21-12-6-4-3-5-11(12)7-15/h3-6,8-10H,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyDCZQBWPUIARLGS-UHFFFAOYSA-N
XLogP1.32
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 46525689
2-(4-chloro-2-methylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716292
(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
CID 93045041
2-[2-(2-cyanophenoxy)propanoylamino]butanoic acid
CID 43469183
(2S)-2-[2-(2-cyanophenoxy)propanoylamino]pentanoic acid
CID 107563790
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 7382543
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-[2-(2-cyanophenoxy)propanoylamino]-4-methoxybutanoic acid
CID 120701997
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115649625
N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
CID 112550843

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 103716433) is 2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is CC(Oc1ccccc1C#N)C(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is DCZQBWPUIARLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9(13-16-8-17-19-13)18-14(20)10(2)21-12-6-4-3-5-11(12)7-15/h3-6,8-10H,1-2H3,(H,18,20)(H,16,17,19).
What are the key properties of 2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 285.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 103716433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).