6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile

C18H19BrN4O — CID 22622539

IUPAC6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile
SMILESCCN(Cc1cc(Br)ccc1OC1CCC1)c1ccc(C#N)nn1
InChIInChI=1S/C18H19BrN4O/c1-2-23(18-9-7-15(11-20)21-22-18)12-13-10-14(19)6-8-17(13)24-16-4-3-5-16/h6-10,16H,2-5,12H2,1H3
InChIKeyACGFNTZPTJWWRZ-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.07
Rot. Bonds6

About 6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile

6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile (PubChem CID 22622539) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile
PubChem CID22622539
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile
SMILESCCN(Cc1cc(Br)ccc1OC1CCC1)c1ccc(C#N)nn1
InChIInChI=1S/C18H19BrN4O/c1-2-23(18-9-7-15(11-20)21-22-18)12-13-10-14(19)6-8-17(13)24-16-4-3-5-16/h6-10,16H,2-5,12H2,1H3
InChIKeyACGFNTZPTJWWRZ-UHFFFAOYSA-N
XLogP4.07
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile (CID 22622539) is 6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile is CCN(Cc1cc(Br)ccc1OC1CCC1)c1ccc(C#N)nn1.
What is the InChIKey of 6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile?
The InChIKey is ACGFNTZPTJWWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-2-23(18-9-7-15(11-20)21-22-18)12-13-10-14(19)6-8-17(13)24-16-4-3-5-16/h6-10,16H,2-5,12H2,1H3.
What are the key properties of 6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile?
6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile has a molecular weight of 387.28 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 22622539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).