N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide

C13H14N4O2 — CID 86791011

IUPACN-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2ccnn2)c1)NC1CC1
InChIInChI=1S/C13H14N4O2/c18-13(15-10-4-5-10)9-19-12-3-1-2-11(8-12)17-7-6-14-16-17/h1-3,6-8,10H,4-5,9H2,(H,15,18)
InChIKeyKKRIINABBFIJMG-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.92
Rot. Bonds5

About N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide

N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide (PubChem CID 86791011) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide
PubChem CID86791011
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2ccnn2)c1)NC1CC1
InChIInChI=1S/C13H14N4O2/c18-13(15-10-4-5-10)9-19-12-3-1-2-11(8-12)17-7-6-14-16-17/h1-3,6-8,10H,4-5,9H2,(H,15,18)
InChIKeyKKRIINABBFIJMG-UHFFFAOYSA-N
XLogP0.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide (CID 86791011) is N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2ccnn2)c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide?
The InChIKey is KKRIINABBFIJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-13(15-10-4-5-10)9-19-12-3-1-2-11(8-12)17-7-6-14-16-17/h1-3,6-8,10H,4-5,9H2,(H,15,18).
What are the key properties of N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide?
N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide has a molecular weight of 258.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(triazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 86791011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).