2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C16H12N6O2 — CID 75479431

IUPAC2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESN#Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1
InChIInChI=1S/C16H12N6O2/c17-9-11-4-3-5-12(8-11)24-10-14(23)19-16-20-15(21-22-16)13-6-1-2-7-18-13/h1-8H,10H2,(H2,19,20,21,22,23)
InChIKeyQOBBNJBAAAADCI-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.76
Rot. Bonds5

About 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 75479431) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID75479431
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESN#Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1
InChIInChI=1S/C16H12N6O2/c17-9-11-4-3-5-12(8-11)24-10-14(23)19-16-20-15(21-22-16)13-6-1-2-7-18-13/h1-8H,10H2,(H2,19,20,21,22,23)
InChIKeyQOBBNJBAAAADCI-UHFFFAOYSA-N
XLogP1.76
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(phenoxyacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970599
1-[(2R)-2-[3-(2-amino-4-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689783
1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68690161
2-{3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazol-5-yl}pyridine
CID 2501099
2-[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 2501103
1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 118738126
N-tert-butyl-2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]acetamide
CID 86581026
2-[5-(3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
CID 90370530
2-[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918317
2-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 15957196
2-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-pyridine
CID 15957264
5-{[2-oxo-1-(1H-pyrazolo[3,4-b]pyridine-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]oxy}isophthalonitrile
CID 42645108

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 75479431) is 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is N#Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is QOBBNJBAAAADCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c17-9-11-4-3-5-12(8-11)24-10-14(23)19-16-20-15(21-22-16)13-6-1-2-7-18-13/h1-8H,10H2,(H2,19,20,21,22,23).
What are the key properties of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 320.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 75479431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).