4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine

C15H22N4O — CID 138047495

IUPAC4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine
SMILESCOC1CCC(NC(C)c2cnn3ncccc23)CC1
InChIInChI=1S/C15H22N4O/c1-11(18-12-5-7-13(20-2)8-6-12)14-10-17-19-15(14)4-3-9-16-19/h3-4,9-13,18H,5-8H2,1-2H3
InChIKeyLOCWZYUMZRMYSQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.34
Rot. Bonds4

About 4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine

4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine (PubChem CID 138047495) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine
PubChem CID138047495
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine
SMILESCOC1CCC(NC(C)c2cnn3ncccc23)CC1
InChIInChI=1S/C15H22N4O/c1-11(18-12-5-7-13(20-2)8-6-12)14-10-17-19-15(14)4-3-9-16-19/h3-4,9-13,18H,5-8H2,1-2H3
InChIKeyLOCWZYUMZRMYSQ-UHFFFAOYSA-N
XLogP2.34
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine (CID 138047495) is 4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine is COC1CCC(NC(C)c2cnn3ncccc23)CC1.
What is the InChIKey of 4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine?
The InChIKey is LOCWZYUMZRMYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(18-12-5-7-13(20-2)8-6-12)14-10-17-19-15(14)4-3-9-16-19/h3-4,9-13,18H,5-8H2,1-2H3.
What are the key properties of 4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine?
4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-pyrazolo[1,5-b]pyridazin-3-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 138047495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).