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

C13H15FN4O — CID 136790096

IUPAC2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol
SMILESNCC1CCn2c(nnc2-c2ccc(F)cc2O)C1
InChIInChI=1S/C13H15FN4O/c14-9-1-2-10(11(19)6-9)13-17-16-12-5-8(7-15)3-4-18(12)13/h1-2,6,8,19H,3-5,7,15H2
InChIKeyANRJGKNVCNDKIP-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.31
Rot. Bonds2

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

2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol (PubChem CID 136790096) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol
PubChem CID136790096
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol
SMILESNCC1CCn2c(nnc2-c2ccc(F)cc2O)C1
InChIInChI=1S/C13H15FN4O/c14-9-1-2-10(11(19)6-9)13-17-16-12-5-8(7-15)3-4-18(12)13/h1-2,6,8,19H,3-5,7,15H2
InChIKeyANRJGKNVCNDKIP-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-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-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
5-(2-hydroxyphenyl)-N,N,3-trimethyl-1H-1,2,4-triazole-1-sulfonamide
CID 940797
2-{1-[2-(diethylamino)ethyl]-3-methyl-1H-1,2,4-triazol-5-yl}phenol
CID 1251433
2-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)phenol
CID 136315296
2-{4-methyl-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazol-2-ium-3-yl}phenolate
CID 135495588
Phenol, 2-(5-methyl-1H-1,2,4-triazol-3-yl)-
CID 854940
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol
CID 4176435
4-Amino-3,5-bis(2-hydroxy-phenyl)-1,2,4-triazole
CID 135759486
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-[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]phenol
CID 139485159

Frequently Asked Questions

What is the IUPAC name of 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol?
The IUPAC name of 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol (CID 136790096) is 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol.
What is the SMILES notation for 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol?
The canonical SMILES for 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol is NCC1CCn2c(nnc2-c2ccc(F)cc2O)C1.
What is the InChIKey of 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol?
The InChIKey is ANRJGKNVCNDKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-9-1-2-10(11(19)6-9)13-17-16-12-5-8(7-15)3-4-18(12)13/h1-2,6,8,19H,3-5,7,15H2.
What are the key properties of 2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol?
2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-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-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-fluorophenol is sourced from PubChem (CID 136790096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).