4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol

C12H10N4O — CID 135599849

IUPAC4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol
SMILESCc1nn2cnnc2cc1-c1ccc(O)cc1
InChIInChI=1S/C12H10N4O/c1-8-11(9-2-4-10(17)5-3-9)6-12-14-13-7-16(12)15-8/h2-7,17H,1H3
InChIKeyHFFIKIRZMTYLFI-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.81
Rot. Bonds1

About 4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol

4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol (PubChem CID 135599849) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol.

Molecular Properties

Compound Name4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol
PubChem CID135599849
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol
SMILESCc1nn2cnnc2cc1-c1ccc(O)cc1
InChIInChI=1S/C12H10N4O/c1-8-11(9-2-4-10(17)5-3-9)6-12-14-13-7-16(12)15-8/h2-7,17H,1H3
InChIKeyHFFIKIRZMTYLFI-UHFFFAOYSA-N
XLogP1.81
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol?
The IUPAC name of 4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol (CID 135599849) is 4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol.
What is the SMILES notation for 4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol?
The canonical SMILES for 4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol is Cc1nn2cnnc2cc1-c1ccc(O)cc1.
What is the InChIKey of 4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol?
The InChIKey is HFFIKIRZMTYLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-11(9-2-4-10(17)5-3-9)6-12-14-13-7-16(12)15-8/h2-7,17H,1H3.
What are the key properties of 4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol?
4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol has a molecular weight of 226.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol is sourced from PubChem (CID 135599849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).