6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile

C17H18N4 — CID 133419816

IUPAC6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NCC2(Cc3ccccc3)CCC2)nn1
InChIInChI=1S/C17H18N4/c18-12-15-7-8-16(21-20-15)19-13-17(9-4-10-17)11-14-5-2-1-3-6-14/h1-3,5-8H,4,9-11,13H2,(H,19,21)
InChIKeySWHDFFKRQMRUOW-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.17
Rot. Bonds5

About 6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile

6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile (PubChem CID 133419816) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile
PubChem CID133419816
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NCC2(Cc3ccccc3)CCC2)nn1
InChIInChI=1S/C17H18N4/c18-12-15-7-8-16(21-20-15)19-13-17(9-4-10-17)11-14-5-2-1-3-6-14/h1-3,5-8H,4,9-11,13H2,(H,19,21)
InChIKeySWHDFFKRQMRUOW-UHFFFAOYSA-N
XLogP3.17
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile (CID 133419816) is 6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile is N#Cc1ccc(NCC2(Cc3ccccc3)CCC2)nn1.
What is the InChIKey of 6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile?
The InChIKey is SWHDFFKRQMRUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-12-15-7-8-16(21-20-15)19-13-17(9-4-10-17)11-14-5-2-1-3-6-14/h1-3,5-8H,4,9-11,13H2,(H,19,21).
What are the key properties of 6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile?
6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133419816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).