2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile

C16H14N6O2 — CID 126648841

IUPAC2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile
SMILESN#Cc1ccc(OC2CC2)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C16H14N6O2/c17-7-9-1-2-12(24-11-3-4-11)5-10(9)8-23-13-6-14(18)19-16-15(13)20-22-21-16/h1-2,5-6,11H,3-4,8H2,(H3,18,19,20,21,22)
InChIKeyFFUYRZCQVBFZFZ-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.93
Rot. Bonds5

About 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile (PubChem CID 126648841) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile.

Molecular Properties

Compound Name2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile
PubChem CID126648841
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile
SMILESN#Cc1ccc(OC2CC2)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C16H14N6O2/c17-7-9-1-2-12(24-11-3-4-11)5-10(9)8-23-13-6-14(18)19-16-15(13)20-22-21-16/h1-2,5-6,11H,3-4,8H2,(H3,18,19,20,21,22)
InChIKeyFFUYRZCQVBFZFZ-UHFFFAOYSA-N
XLogP1.93
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile with MolForge

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Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649069
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-((4-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126678883
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
7-((3-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126680348
7-[(2-chlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126680363
US10214527, Example 27
CID 126679215
US10214527, Example 49
CID 126679441
US10981879, Example 110
CID 130365175
US10214527, Example 3
CID 135341277

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile?
The IUPAC name of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile (CID 126648841) is 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile.
What is the SMILES notation for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile?
The canonical SMILES for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile is N#Cc1ccc(OC2CC2)cc1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile?
The InChIKey is FFUYRZCQVBFZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c17-7-9-1-2-12(24-11-3-4-11)5-10(9)8-23-13-6-14(18)19-16-15(13)20-22-21-16/h1-2,5-6,11H,3-4,8H2,(H3,18,19,20,21,22).
What are the key properties of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile?
2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile has a molecular weight of 322.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-cyclopropyloxybenzonitrile is sourced from PubChem (CID 126648841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).