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

C13H15FN4O — CID 136751764

IUPAC4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol
SMILESNCC1CCn2c(nnc2-c2ccc(O)cc2F)C1
InChIInChI=1S/C13H15FN4O/c14-11-6-9(19)1-2-10(11)13-17-16-12-5-8(7-15)3-4-18(12)13/h1-2,6,8,19H,3-5,7,15H2
InChIKeyPVPWCRWCOPSQBY-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.31
Rot. Bonds2

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

4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol (PubChem CID 136751764) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol
PubChem CID136751764
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol
SMILESNCC1CCn2c(nnc2-c2ccc(O)cc2F)C1
InChIInChI=1S/C13H15FN4O/c14-11-6-9(19)1-2-10(11)13-17-16-12-5-8(7-15)3-4-18(12)13/h1-2,6,8,19H,3-5,7,15H2
InChIKeyPVPWCRWCOPSQBY-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 4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol?
The IUPAC name of 4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol (CID 136751764) is 4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol.
What is the SMILES notation for 4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol?
The canonical SMILES for 4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol is NCC1CCn2c(nnc2-c2ccc(O)cc2F)C1.
What is the InChIKey of 4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol?
The InChIKey is PVPWCRWCOPSQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-11-6-9(19)1-2-10(11)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 4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol?
4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-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 4-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-fluorophenol is sourced from PubChem (CID 136751764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).