7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H21N5O — CID 18314531

IUPAC7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOCCNc1nn2c(-c3ccccc3)nnc2cc1C1CCC1
InChIInChI=1S/C18H21N5O/c1-24-11-10-19-17-15(13-8-5-9-13)12-16-20-21-18(23(16)22-17)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,19,22)
InChIKeyIECSLJNCQMPULC-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.12
Rot. Bonds6

About 7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 18314531) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID18314531
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOCCNc1nn2c(-c3ccccc3)nnc2cc1C1CCC1
InChIInChI=1S/C18H21N5O/c1-24-11-10-19-17-15(13-8-5-9-13)12-16-20-21-18(23(16)22-17)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,19,22)
InChIKeyIECSLJNCQMPULC-UHFFFAOYSA-N
XLogP3.12
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 18314531) is 7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COCCNc1nn2c(-c3ccccc3)nnc2cc1C1CCC1.
What is the InChIKey of 7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is IECSLJNCQMPULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-11-10-19-17-15(13-8-5-9-13)12-16-20-21-18(23(16)22-17)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,19,22).
What are the key properties of 7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-N-(2-methoxyethyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 18314531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).