(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

C14H14Cl2N2O — CID 105133302

IUPAC(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-3-13-10(6-8(2)17-18-13)14(19)9-4-5-11(15)12(16)7-9/h4-7,14,19H,3H2,1-2H3
InChIKeyWGGGKQNECPDCMD-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.74
Rot. Bonds3

About (3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (PubChem CID 105133302) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
PubChem CID105133302
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-3-13-10(6-8(2)17-18-13)14(19)9-4-5-11(15)12(16)7-9/h4-7,14,19H,3H2,1-2H3
InChIKeyWGGGKQNECPDCMD-UHFFFAOYSA-N
XLogP3.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105092346
(3-ethyl-6-methylpyridazin-4-yl)-(furan-3-yl)methanol
CID 105097197
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
CID 105102712
(3-ethyl-6-methylpyridazin-4-yl)-pyridin-3-ylmethanol
CID 105079484
(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 107561977
2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol
CID 105114654
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105127736
(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 107516160
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093569
2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine
CID 105136569
(3-ethyl-6-methylpyridazin-4-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098012
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105081232

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (CID 105133302) is (3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is CCc1nnc(C)cc1C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The InChIKey is WGGGKQNECPDCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-3-13-10(6-8(2)17-18-13)14(19)9-4-5-11(15)12(16)7-9/h4-7,14,19H,3H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol has a molecular weight of 297.19 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is sourced from PubChem (CID 105133302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).