2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile

C20H15FN4 — CID 10359272

IUPAC2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-c1cccc(-c2cnnc(NC3CC3)c2)c1
InChIInChI=1S/C20H15FN4/c21-17-4-7-19(15(9-17)11-22)14-3-1-2-13(8-14)16-10-20(25-23-12-16)24-18-5-6-18/h1-4,7-10,12,18H,5-6H2,(H,24,25)
InChIKeyCHUIKVYJLOPWHP-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.40
Rot. Bonds4

About 2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile

2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile (PubChem CID 10359272) has the molecular formula C20H15FN4 and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile
PubChem CID10359272
Molecular FormulaC20H15FN4
Molecular Weight330.37 g/mol
Exact Mass330.13
IUPAC Name2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-c1cccc(-c2cnnc(NC3CC3)c2)c1
InChIInChI=1S/C20H15FN4/c21-17-4-7-19(15(9-17)11-22)14-3-1-2-13(8-14)16-10-20(25-23-12-16)24-18-5-6-18/h1-4,7-10,12,18H,5-6H2,(H,24,25)
InChIKeyCHUIKVYJLOPWHP-UHFFFAOYSA-N
XLogP4.40
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile?
The IUPAC name of 2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile (CID 10359272) is 2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile?
The canonical SMILES for 2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1-c1cccc(-c2cnnc(NC3CC3)c2)c1.
What is the InChIKey of 2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile?
The InChIKey is CHUIKVYJLOPWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4/c21-17-4-7-19(15(9-17)11-22)14-3-1-2-13(8-14)16-10-20(25-23-12-16)24-18-5-6-18/h1-4,7-10,12,18H,5-6H2,(H,24,25).
What are the key properties of 2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile?
2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile has a molecular weight of 330.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(cyclopropylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile is sourced from PubChem (CID 10359272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).