1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol

C19H25FN4O — CID 133486579

IUPAC1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCC1CN(CC(C)(C)O)CCN1c1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C19H25FN4O/c1-14-12-23(13-19(2,3)25)10-11-24(14)18-9-8-17(21-22-18)15-4-6-16(20)7-5-15/h4-9,14,25H,10-13H2,1-3H3
InChIKeyDVABFCNZMFMHGY-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.56
Rot. Bonds4

About 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol

1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 133486579) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
PubChem CID133486579
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCC1CN(CC(C)(C)O)CCN1c1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C19H25FN4O/c1-14-12-23(13-19(2,3)25)10-11-24(14)18-9-8-17(21-22-18)15-4-6-16(20)7-5-15/h4-9,14,25H,10-13H2,1-3H3
InChIKeyDVABFCNZMFMHGY-UHFFFAOYSA-N
XLogP2.56
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol (CID 133486579) is 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol is CC1CN(CC(C)(C)O)CCN1c1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is DVABFCNZMFMHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14-12-23(13-19(2,3)25)10-11-24(14)18-9-8-17(21-22-18)15-4-6-16(20)7-5-15/h4-9,14,25H,10-13H2,1-3H3.
What are the key properties of 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 344.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 133486579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).