3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole

C14H13N7O2 — CID 166622304

IUPAC3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole
SMILESCc1nonc1OCCn1ccnc1-c1cccc2ncnn12
InChIInChI=1S/C14H13N7O2/c1-10-14(19-23-18-10)22-8-7-20-6-5-15-13(20)11-3-2-4-12-16-9-17-21(11)12/h2-6,9H,7-8H2,1H3
InChIKeyCCRFKJFDVFZPGS-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.36
Rot. Bonds5

About 3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole

3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole (PubChem CID 166622304) has the molecular formula C14H13N7O2 and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole
PubChem CID166622304
Molecular FormulaC14H13N7O2
Molecular Weight311.31 g/mol
Exact Mass311.11
IUPAC Name3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole
SMILESCc1nonc1OCCn1ccnc1-c1cccc2ncnn12
InChIInChI=1S/C14H13N7O2/c1-10-14(19-23-18-10)22-8-7-20-6-5-15-13(20)11-3-2-4-12-16-9-17-21(11)12/h2-6,9H,7-8H2,1H3
InChIKeyCCRFKJFDVFZPGS-UHFFFAOYSA-N
XLogP1.36
TPSA96.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[1-(4-methoxycyclohexyl)imidazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165421719
5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165417829
4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid
CID 170512125
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56899511
N,N-dimethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyridin-2-amine
CID 165425775
7-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 154566522
7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 155505782
1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole
CID 56880138
2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol
CID 165421482
trimethyl([1,2,4]triazolo[1,5-a]pyridin-5-yl)stannane
CID 140850311
N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid
CID 166599913
3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
CID 122540683

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole (CID 166622304) is 3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole is Cc1nonc1OCCn1ccnc1-c1cccc2ncnn12.
What is the InChIKey of 3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole?
The InChIKey is CCRFKJFDVFZPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2/c1-10-14(19-23-18-10)22-8-7-20-6-5-15-13(20)11-3-2-4-12-16-9-17-21(11)12/h2-6,9H,7-8H2,1H3.
What are the key properties of 3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole?
3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole has a molecular weight of 311.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole is sourced from PubChem (CID 166622304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).