3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C13H11FN4O — CID 117257148

IUPAC3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(COc3cccc(F)c3)n2c1
InChIInChI=1S/C13H11FN4O/c14-9-2-1-3-11(6-9)19-8-13-17-16-12-5-4-10(15)7-18(12)13/h1-7H,8,15H2
InChIKeyRKHCCLXGFHAIHK-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.03
Rot. Bonds3

About 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 117257148) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID117257148
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(COc3cccc(F)c3)n2c1
InChIInChI=1S/C13H11FN4O/c14-9-2-1-3-11(6-9)19-8-13-17-16-12-5-4-10(15)7-18(12)13/h1-7H,8,15H2
InChIKeyRKHCCLXGFHAIHK-UHFFFAOYSA-N
XLogP2.03
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117257338
2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188387
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645
3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117138056
3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257007
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62539041
2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
CID 117188384
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one
CID 43259980
3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methoxy]aniline
CID 79818145
3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 134360128

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 117257148) is 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Nc1ccc2nnc(COc3cccc(F)c3)n2c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is RKHCCLXGFHAIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-9-2-1-3-11(6-9)19-8-13-17-16-12-5-4-10(15)7-18(12)13/h1-7H,8,15H2.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 258.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 117257148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).