4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

C13H12N4O — CID 137006529

IUPAC4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESNCc1ccc2nnc(-c3ccc(O)cc3)n2c1
InChIInChI=1S/C13H12N4O/c14-7-9-1-6-12-15-16-13(17(12)8-9)10-2-4-11(18)5-3-10/h1-6,8,18H,7,14H2
InChIKeyDVVJVJABVVNOPY-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.56
Rot. Bonds2

About 4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (PubChem CID 137006529) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
PubChem CID137006529
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESNCc1ccc2nnc(-c3ccc(O)cc3)n2c1
InChIInChI=1S/C13H12N4O/c14-7-9-1-6-12-15-16-13(17(12)8-9)10-2-4-11(18)5-3-10/h1-6,8,18H,7,14H2
InChIKeyDVVJVJABVVNOPY-UHFFFAOYSA-N
XLogP1.56
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The IUPAC name of 4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (CID 137006529) is 4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.
What is the SMILES notation for 4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The canonical SMILES for 4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is NCc1ccc2nnc(-c3ccc(O)cc3)n2c1.
What is the InChIKey of 4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The InChIKey is DVVJVJABVVNOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-7-9-1-6-12-15-16-13(17(12)8-9)10-2-4-11(18)5-3-10/h1-6,8,18H,7,14H2.
What are the key properties of 4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol has a molecular weight of 240.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is sourced from PubChem (CID 137006529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).