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

C13H11N3O — CID 46948662

IUPAC3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol
SMILESCc1cc(O)ccc1-c1ccc2nncn2c1
InChIInChI=1S/C13H11N3O/c1-9-6-11(17)3-4-12(9)10-2-5-13-15-14-8-16(13)7-10/h2-8,17H,1H3
InChIKeyGIZZIGLUVQLXKD-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.41
Rot. Bonds1

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

3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol (PubChem CID 46948662) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol.

Molecular Properties

Compound Name3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol
PubChem CID46948662
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol
SMILESCc1cc(O)ccc1-c1ccc2nncn2c1
InChIInChI=1S/C13H11N3O/c1-9-6-11(17)3-4-12(9)10-2-5-13-15-14-8-16(13)7-10/h2-8,17H,1H3
InChIKeyGIZZIGLUVQLXKD-UHFFFAOYSA-N
XLogP2.41
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

GS-458967
CID 58118983
1,2,4-Triazolo(3,4-a)isoquinoline, 8,9-dimethoxy-3-methyl-
CID 206669
4-[(6-Phenyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol
CID 24901697
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
4-(3-Bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 52947893
(E)-3-((2-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)hydrazono)methyl)phenol
CID 6868331
6-[4-(Trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 66849404
6-[4-(Difluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849571
3-(Difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66849729
2,6-Dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 71453547
6-[2-Methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 87178530
6-[4-(2,2,2-Trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 87178657

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol?
The IUPAC name of 3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol (CID 46948662) is 3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol.
What is the SMILES notation for 3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol?
The canonical SMILES for 3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol is Cc1cc(O)ccc1-c1ccc2nncn2c1.
What is the InChIKey of 3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol?
The InChIKey is GIZZIGLUVQLXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-6-11(17)3-4-12(9)10-2-5-13-15-14-8-16(13)7-10/h2-8,17H,1H3.
What are the key properties of 3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol?
3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol has a molecular weight of 225.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol is sourced from PubChem (CID 46948662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).