7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

C13H13F2N5O2 — CID 126678796

IUPAC7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2ccc(OC(F)F)cc2)c2c(n1)NNN2
InChIInChI=1S/C13H13F2N5O2/c14-13(15)22-8-3-1-7(2-4-8)6-21-9-5-10(16)17-12-11(9)18-20-19-12/h1-5,13,18,20H,6H2,(H3,16,17,19)
InChIKeyWZKCQLDRVMBGDQ-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.10
Rot. Bonds5

About 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126678796) has the molecular formula C13H13F2N5O2 and a molecular weight of 309.28 g/mol. Its IUPAC name is 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126678796
Molecular FormulaC13H13F2N5O2
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2ccc(OC(F)F)cc2)c2c(n1)NNN2
InChIInChI=1S/C13H13F2N5O2/c14-13(15)22-8-3-1-7(2-4-8)6-21-9-5-10(16)17-12-11(9)18-20-19-12/h1-5,13,18,20H,6H2,(H3,16,17,19)
InChIKeyWZKCQLDRVMBGDQ-UHFFFAOYSA-N
XLogP2.10
TPSA93.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-[[4-(difluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648702
7-[[4-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648907
7-[1-[4-(trifluoromethoxy)phenyl]ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648939
4-[(2,6-Difluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678665
6-Hydrazinyl-4-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]pyridine-2,5-diamine
CID 126678773
6-Hydrazinyl-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine
CID 126678774
7-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678778
4-[[4-(Difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678797
4-[[3-(3-Fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678820
4-[(3-Bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678826
6-Hydrazinyl-4-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]pyridine-2,5-diamine
CID 126678829
4-[2,2-Difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678850

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126678796) is 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2ccc(OC(F)F)cc2)c2c(n1)NNN2.
What is the InChIKey of 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is WZKCQLDRVMBGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O2/c14-13(15)22-8-3-1-7(2-4-8)6-21-9-5-10(16)17-12-11(9)18-20-19-12/h1-5,13,18,20H,6H2,(H3,16,17,19).
What are the key properties of 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 309.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126678796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).