1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol

C16H23ClN2O — CID 22751178

IUPAC1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CC(C)(C)CC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C16H23ClN2O/c1-4-14(20)10-19-11-16(2,3)9-15(18-19)12-5-7-13(17)8-6-12/h5-8,14,20H,4,9-11H2,1-3H3
InChIKeyLKPQYFZSDMNXDU-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.55
Rot. Bonds4

About 1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol

1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol (PubChem CID 22751178) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol
PubChem CID22751178
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CC(C)(C)CC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C16H23ClN2O/c1-4-14(20)10-19-11-16(2,3)9-15(18-19)12-5-7-13(17)8-6-12/h5-8,14,20H,4,9-11H2,1-3H3
InChIKeyLKPQYFZSDMNXDU-UHFFFAOYSA-N
XLogP3.55
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol (CID 22751178) is 1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol is CCC(O)CN1CC(C)(C)CC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol?
The InChIKey is LKPQYFZSDMNXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-4-14(20)10-19-11-16(2,3)9-15(18-19)12-5-7-13(17)8-6-12/h5-8,14,20H,4,9-11H2,1-3H3.
What are the key properties of 1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol?
1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol has a molecular weight of 294.83 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-4,4-dimethyl-3,5-dihydropyridazin-2-yl]butan-2-ol is sourced from PubChem (CID 22751178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).