6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine

C20H16F2N4 — CID 66965196

IUPAC6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine
SMILESNc1ccc(-c2ccc3c(c2)CNCC=C3c2cc(F)ccc2F)nn1
InChIInChI=1S/C20H16F2N4/c21-14-2-4-18(22)17(10-14)16-7-8-24-11-13-9-12(1-3-15(13)16)19-5-6-20(23)26-25-19/h1-7,9-10,24H,8,11H2,(H2,23,26)
InChIKeySQJUJBQQRMATCS-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.54
Rot. Bonds2

About 6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine

6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine (PubChem CID 66965196) has the molecular formula C20H16F2N4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine
PubChem CID66965196
Molecular FormulaC20H16F2N4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine
SMILESNc1ccc(-c2ccc3c(c2)CNCC=C3c2cc(F)ccc2F)nn1
InChIInChI=1S/C20H16F2N4/c21-14-2-4-18(22)17(10-14)16-7-8-24-11-13-9-12(1-3-15(13)16)19-5-6-20(23)26-25-19/h1-7,9-10,24H,8,11H2,(H2,23,26)
InChIKeySQJUJBQQRMATCS-UHFFFAOYSA-N
XLogP3.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluorophenyl)-8-[6-(trifluoromethyl)pyridazin-3-yl]-2,3-dihydro-1H-2-benzazepine
CID 66964527
6-(4-fluorophenyl)pyridazin-3-amine
CID 11030588
6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66965132
5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963933
6-(5-chloro-2-fluorophenyl)pyridazin-3-amine
CID 82473249
5-(2,4-difluorophenyl)-2-methyl-8-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-dihydro-2-benzazepine
CID 66964603
7-fluoro-5-(7-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964719
7-(2,5-difluorophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 143044152
9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964504
6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964598
3-fluoro-6-(4-fluorophenyl)benzene-1,2-diamine
CID 151865792
5-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-isoindole
CID 146279489

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine?
The IUPAC name of 6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine (CID 66965196) is 6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine?
The canonical SMILES for 6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine is Nc1ccc(-c2ccc3c(c2)CNCC=C3c2cc(F)ccc2F)nn1.
What is the InChIKey of 6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine?
The InChIKey is SQJUJBQQRMATCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4/c21-14-2-4-18(22)17(10-14)16-7-8-24-11-13-9-12(1-3-15(13)16)19-5-6-20(23)26-25-19/h1-7,9-10,24H,8,11H2,(H2,23,26).
What are the key properties of 6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine?
6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine has a molecular weight of 350.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,5-difluorophenyl)-2,3-dihydro-1H-2-benzazepin-8-yl]pyridazin-3-amine is sourced from PubChem (CID 66965196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).