3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine

C14H11N7O — CID 175666460

IUPAC3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine
SMILESc1ccc(-n2cc(COn3nnc4cccnc43)nn2)cc1
InChIInChI=1S/C14H11N7O/c1-2-5-12(6-3-1)20-9-11(16-18-20)10-22-21-14-13(17-19-21)7-4-8-15-14/h1-9H,10H2
InChIKeyIYWKEJHLNMFBLD-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.04
Rot. Bonds4

About 3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine

3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine (PubChem CID 175666460) has the molecular formula C14H11N7O and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine
PubChem CID175666460
Molecular FormulaC14H11N7O
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine
SMILESc1ccc(-n2cc(COn3nnc4cccnc43)nn2)cc1
InChIInChI=1S/C14H11N7O/c1-2-5-12(6-3-1)20-9-11(16-18-20)10-22-21-14-13(17-19-21)7-4-8-15-14/h1-9H,10H2
InChIKeyIYWKEJHLNMFBLD-UHFFFAOYSA-N
XLogP1.04
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-phenyltriazol-4-yl)methylazanium chloride
CID 82018236
4-[(2-chlorophenoxy)methyl]-1-phenyltriazole
CID 3065713
2-[(1-phenyltriazol-4-yl)methoxy]benzaldehyde
CID 139267105
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
4-[[4-[amino(dihydroxy)-λ4-sulfanyl]phenoxy]methyl]-1-phenyltriazole
CID 137348899
4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline
CID 67473010
4-[(3-ethylphenoxy)methyl]-1-phenyltriazole
CID 70911020
(1-phenyltriazol-4-yl)methyl 2,2-dimethylpropanoate
CID 1478618
2-phenylpyrazolo[4,3-b]pyridine
CID 118393811
1-phenyl-4-prop-2-enyltriazole
CID 70124249
7-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-nitroquinoline
CID 166450205
4-butyl-1-phenyltriazole
CID 25191665

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine?
The IUPAC name of 3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine (CID 175666460) is 3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine is c1ccc(-n2cc(COn3nnc4cccnc43)nn2)cc1.
What is the InChIKey of 3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine?
The InChIKey is IYWKEJHLNMFBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O/c1-2-5-12(6-3-1)20-9-11(16-18-20)10-22-21-14-13(17-19-21)7-4-8-15-14/h1-9H,10H2.
What are the key properties of 3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine?
3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine has a molecular weight of 293.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine is sourced from PubChem (CID 175666460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).