1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol

C15H21ClN2O — CID 22751161

IUPAC1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CCCC(c2ccc(Cl)c(C)c2)=N1
InChIInChI=1S/C15H21ClN2O/c1-3-13(19)10-18-8-4-5-15(17-18)12-6-7-14(16)11(2)9-12/h6-7,9,13,19H,3-5,8,10H2,1-2H3
InChIKeyYYSAKKZGEBXBJQ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.22
Rot. Bonds4

About 1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol

1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (PubChem CID 22751161) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
PubChem CID22751161
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CCCC(c2ccc(Cl)c(C)c2)=N1
InChIInChI=1S/C15H21ClN2O/c1-3-13(19)10-18-8-4-5-15(17-18)12-6-7-14(16)11(2)9-12/h6-7,9,13,19H,3-5,8,10H2,1-2H3
InChIKeyYYSAKKZGEBXBJQ-UHFFFAOYSA-N
XLogP3.22
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (CID 22751161) is 1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is CCC(O)CN1CCCC(c2ccc(Cl)c(C)c2)=N1.
What is the InChIKey of 1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The InChIKey is YYSAKKZGEBXBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-13(19)10-18-8-4-5-15(17-18)12-6-7-14(16)11(2)9-12/h6-7,9,13,19H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol has a molecular weight of 280.80 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chloro-3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is sourced from PubChem (CID 22751161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).