6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine

C19H25N3 — CID 58254686

IUPAC6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine
SMILESC=C1C=CC(c2ccc(CCN3CCCCC3)c(C)c2)=NN1
InChIInChI=1S/C19H25N3/c1-15-14-18(19-9-6-16(2)20-21-19)8-7-17(15)10-13-22-11-4-3-5-12-22/h6-9,14,20H,2-5,10-13H2,1H3
InChIKeyCIHWTVHTLPJOHO-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.40
Rot. Bonds4

About 6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine

6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine (PubChem CID 58254686) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine.

Molecular Properties

Compound Name6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine
PubChem CID58254686
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine
SMILESC=C1C=CC(c2ccc(CCN3CCCCC3)c(C)c2)=NN1
InChIInChI=1S/C19H25N3/c1-15-14-18(19-9-6-16(2)20-21-19)8-7-17(15)10-13-22-11-4-3-5-12-22/h6-9,14,20H,2-5,10-13H2,1H3
InChIKeyCIHWTVHTLPJOHO-UHFFFAOYSA-N
XLogP3.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine?
The IUPAC name of 6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine (CID 58254686) is 6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine.
What is the SMILES notation for 6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine?
The canonical SMILES for 6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine is C=C1C=CC(c2ccc(CCN3CCCCC3)c(C)c2)=NN1.
What is the InChIKey of 6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine?
The InChIKey is CIHWTVHTLPJOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-15-14-18(19-9-6-16(2)20-21-19)8-7-17(15)10-13-22-11-4-3-5-12-22/h6-9,14,20H,2-5,10-13H2,1H3.
What are the key properties of 6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine?
6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine has a molecular weight of 295.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine is sourced from PubChem (CID 58254686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).