2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol

C13H15FN4O — CID 136702654

IUPAC2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol
SMILESNCC1CCc2nnc(-c3cc(F)ccc3O)n2C1
InChIInChI=1S/C13H15FN4O/c14-9-2-3-11(19)10(5-9)13-17-16-12-4-1-8(6-15)7-18(12)13/h2-3,5,8,19H,1,4,6-7,15H2
InChIKeyOZHHHIOPQQGPQO-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.31
Rot. Bonds2

About 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol

2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol (PubChem CID 136702654) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol
PubChem CID136702654
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol
SMILESNCC1CCc2nnc(-c3cc(F)ccc3O)n2C1
InChIInChI=1S/C13H15FN4O/c14-9-2-3-11(19)10(5-9)13-17-16-12-4-1-8(6-15)7-18(12)13/h2-3,5,8,19H,1,4,6-7,15H2
InChIKeyOZHHHIOPQQGPQO-UHFFFAOYSA-N
XLogP1.31
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol with MolForge

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Related Compounds

2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol
CID 2312645
2-[4-Amino-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-1,3,5-triazin-2-yl]phenol
CID 136026130
2-{1-[2-(diethylamino)ethyl]-3-methyl-1H-1,2,4-triazol-5-yl}phenol
CID 1251433
2-{4-methyl-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazol-2-ium-3-yl}phenolate
CID 135495588
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol
CID 4176435
2-{3-[2-(4-fluorophenyl)vinyl]-1H-1,2,4-triazol-5-yl}phenol
CID 5294236
3,5-Bis(2-hydroxyphenyl)-1-(2,2,2-trifluoroethyl)-1h-[1,2,4]triazole
CID 135817459
2-[2-Ethenyl-6-fluoro-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-3-fluorophenol
CID 156514387
4-Fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)phenol
CID 169225540
2-(4-Cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol
CID 176720032
4-Fluoro-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)phenol
CID 178480764
2-[5-[2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
CID 2952114

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol?
The IUPAC name of 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol (CID 136702654) is 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol.
What is the SMILES notation for 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol?
The canonical SMILES for 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol is NCC1CCc2nnc(-c3cc(F)ccc3O)n2C1.
What is the InChIKey of 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol?
The InChIKey is OZHHHIOPQQGPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-9-2-3-11(19)10(5-9)13-17-16-12-4-1-8(6-15)7-18(12)13/h2-3,5,8,19H,1,4,6-7,15H2.
What are the key properties of 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol?
2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol has a molecular weight of 262.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol is sourced from PubChem (CID 136702654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).