N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide

C17H15N7O2 — CID 71702040

IUPACN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnc2)c1)NCc1nnc2ccccn12
InChIInChI=1S/C17H15N7O2/c25-17(18-9-16-22-21-15-6-1-2-7-24(15)16)10-26-14-5-3-4-13(8-14)23-11-19-20-12-23/h1-8,11-12H,9-10H2,(H,18,25)
InChIKeyMEYYLLNRQXWTOH-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.01
Rot. Bonds6

About N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide (PubChem CID 71702040) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide
PubChem CID71702040
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnc2)c1)NCc1nnc2ccccn12
InChIInChI=1S/C17H15N7O2/c25-17(18-9-16-22-21-15-6-1-2-7-24(15)16)10-26-14-5-3-4-13(8-14)23-11-19-20-12-23/h1-8,11-12H,9-10H2,(H,18,25)
InChIKeyMEYYLLNRQXWTOH-UHFFFAOYSA-N
XLogP1.01
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021001
2-(2,6-dimethylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 27848457
2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021061
2-(2-phenylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021053
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021118
2-(3-aminophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 65349831
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
3-methyl-2-[(2-phenoxyacetyl)amino]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 78810198
2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550
2-(4-propan-2-ylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947721
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 71707461

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide (CID 71702040) is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnc2)c1)NCc1nnc2ccccn12.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide?
The InChIKey is MEYYLLNRQXWTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c25-17(18-9-16-22-21-15-6-1-2-7-24(15)16)10-26-14-5-3-4-13(8-14)23-11-19-20-12-23/h1-8,11-12H,9-10H2,(H,18,25).
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide?
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide has a molecular weight of 349.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 71702040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).