7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane

C15H21N7O — CID 91576636

IUPAC7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane
SMILESCC.Cc1nnc2cc(C3CCC3)c(OCc3ncn[nH]3)nn12
InChIInChI=1S/C13H15N7O.C2H6/c1-8-16-18-12-5-10(9-3-2-4-9)13(19-20(8)12)21-6-11-14-7-15-17-11;1-2/h5,7,9H,2-4,6H2,1H3,(H,14,15,17);1-2H3
InChIKeyFQGRAUNFJLGHRK-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.42
Rot. Bonds4

About 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane

7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane (PubChem CID 91576636) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane.

Molecular Properties

Compound Name7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane
PubChem CID91576636
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane
SMILESCC.Cc1nnc2cc(C3CCC3)c(OCc3ncn[nH]3)nn12
InChIInChI=1S/C13H15N7O.C2H6/c1-8-16-18-12-5-10(9-3-2-4-9)13(19-20(8)12)21-6-11-14-7-15-17-11;1-2/h5,7,9H,2-4,6H2,1H3,(H,14,15,17);1-2H3
InChIKeyFQGRAUNFJLGHRK-UHFFFAOYSA-N
XLogP2.42
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The IUPAC name of 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane (CID 91576636) is 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane.
What is the SMILES notation for 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The canonical SMILES for 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane is CC.Cc1nnc2cc(C3CCC3)c(OCc3ncn[nH]3)nn12.
What is the InChIKey of 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The InChIKey is FQGRAUNFJLGHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O.C2H6/c1-8-16-18-12-5-10(9-3-2-4-9)13(19-20(8)12)21-6-11-14-7-15-17-11;1-2/h5,7,9H,2-4,6H2,1H3,(H,14,15,17);1-2H3.
What are the key properties of 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane has a molecular weight of 315.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-3-methyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine;ethane is sourced from PubChem (CID 91576636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).