3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine

C16H19N3 — CID 106895177

IUPAC3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3cccnn3)C2)cc1
InChIInChI=1S/C16H19N3/c1-12-4-6-13(7-5-12)14-9-16(10-14)17-11-15-3-2-8-18-19-15/h2-8,14,16-17H,9-11H2,1H3
InChIKeyBZUKQJJYMJEDAE-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.82
Rot. Bonds4

About 3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine

3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine (PubChem CID 106895177) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
PubChem CID106895177
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3cccnn3)C2)cc1
InChIInChI=1S/C16H19N3/c1-12-4-6-13(7-5-12)14-9-16(10-14)17-11-15-3-2-8-18-19-15/h2-8,14,16-17H,9-11H2,1H3
InChIKeyBZUKQJJYMJEDAE-UHFFFAOYSA-N
XLogP2.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylethyl)-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155512645
trans-(1S,2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine
CID 89514856
4-(4-Methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 122197234
3-(4-Methylphenyl)pyridazine
CID 12379130
2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine
CID 126822132
5-(2,4-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 16006646
1-[4-(Trifluoromethyl)pyridazin-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 66788798
5-(2,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963664
7-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963698
5-(2,5-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963707
5-(3,5-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963710
5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963716

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine (CID 106895177) is 3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCc3cccnn3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is BZUKQJJYMJEDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12-4-6-13(7-5-12)14-9-16(10-14)17-11-15-3-2-8-18-19-15/h2-8,14,16-17H,9-11H2,1H3.
What are the key properties of 3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine?
3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 106895177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).