1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane

C18H23FN4 — CID 133314322

IUPAC1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
SMILESCCCN1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C18H23FN4/c1-2-10-22-11-3-12-23(14-13-22)18-9-8-17(20-21-18)15-4-6-16(19)7-5-15/h4-9H,2-3,10-14H2,1H3
InChIKeyXQYLYKOQQMPFLJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.20
Rot. Bonds4

About 1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane

1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane (PubChem CID 133314322) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
PubChem CID133314322
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
SMILESCCCN1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C18H23FN4/c1-2-10-22-11-3-12-23(14-13-22)18-9-8-17(20-21-18)15-4-6-16(19)7-5-15/h4-9H,2-3,10-14H2,1H3
InChIKeyXQYLYKOQQMPFLJ-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 46002572
3-ethylsulfanyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]azepane
CID 133311303
3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
CID 43090208
1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 83281834
N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46002565
1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-propan-2-yl-1-propylurea
CID 42834269
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 53004866
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
CID 108776824
[6-(4-propylpiperazin-1-yl)pyridazin-3-yl]methanamine
CID 55054734
N-[(2S)-butan-2-yl]-4-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 93158117
N-[(2R)-butan-2-yl]-4-fluoro-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 93158116

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane?
The IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane (CID 133314322) is 1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane.
What is the SMILES notation for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane?
The canonical SMILES for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane is CCCN1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane?
The InChIKey is XQYLYKOQQMPFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-2-10-22-11-3-12-23(14-13-22)18-9-8-17(20-21-18)15-4-6-16(19)7-5-15/h4-9H,2-3,10-14H2,1H3.
What are the key properties of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane?
1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane has a molecular weight of 314.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane is sourced from PubChem (CID 133314322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).