2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole

C11H13ClN4O — CID 104669987

IUPAC2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(C)cc1-c1nnc(CCCl)o1
InChIInChI=1S/C11H13ClN4O/c1-3-9-8(6-7(2)13-14-9)11-16-15-10(17-11)4-5-12/h6H,3-5H2,1-2H3
InChIKeyIGMJXXLDJUISKF-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.18
Rot. Bonds4

About 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole (PubChem CID 104669987) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
PubChem CID104669987
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(C)cc1-c1nnc(CCCl)o1
InChIInChI=1S/C11H13ClN4O/c1-3-9-8(6-7(2)13-14-9)11-16-15-10(17-11)4-5-12/h6H,3-5H2,1-2H3
InChIKeyIGMJXXLDJUISKF-UHFFFAOYSA-N
XLogP2.18
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Chloromethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669980
2-(Chloromethyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669982
2-[Chloro(phenyl)methyl]-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669983
2-(1-Chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669984
2-(1-Chloroethyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669986
2-(2-Chloroethyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669989
2-(3-Chloropropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669991
2-(1-Bromopropyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669992
2-(1-Bromopropyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazole
CID 104669994
5-(3,6-Dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
CID 104670085
5-(3-Ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
CID 104670086
2-[[5-(3,6-Dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 104670835

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole (CID 104669987) is 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole is CCc1nnc(C)cc1-c1nnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole?
The InChIKey is IGMJXXLDJUISKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-3-9-8(6-7(2)13-14-9)11-16-15-10(17-11)4-5-12/h6H,3-5H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole has a molecular weight of 252.70 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 104669987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).