N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide

C14H16N4O2 — CID 171138634

IUPACN-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
SMILESCC(Oc1ncn(-c2ccccc2)n1)C(=O)NC1CC1
InChIInChI=1S/C14H16N4O2/c1-10(13(19)16-11-7-8-11)20-14-15-9-18(17-14)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,16,19)
InChIKeyWPXOGBWEJPXYKY-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.31
Rot. Bonds5

About N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide

N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide (PubChem CID 171138634) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
PubChem CID171138634
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
SMILESCC(Oc1ncn(-c2ccccc2)n1)C(=O)NC1CC1
InChIInChI=1S/C14H16N4O2/c1-10(13(19)16-11-7-8-11)20-14-15-9-18(17-14)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,16,19)
InChIKeyWPXOGBWEJPXYKY-UHFFFAOYSA-N
XLogP1.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopentyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819947
N-(2-phenylethyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138644
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
CID 100829263
N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138623
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138612
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 102567233
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pentanoic acid
CID 83037445
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557147
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022979

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The IUPAC name of N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide (CID 171138634) is N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide is CC(Oc1ncn(-c2ccccc2)n1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The InChIKey is WPXOGBWEJPXYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10(13(19)16-11-7-8-11)20-14-15-9-18(17-14)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide has a molecular weight of 272.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide is sourced from PubChem (CID 171138634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).