2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole

C8H7ClN4O — CID 104669988

IUPAC2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2ccnnc2)o1
InChIInChI=1S/C8H7ClN4O/c9-3-1-7-12-13-8(14-7)6-2-4-10-11-5-6/h2,4-5H,1,3H2
InChIKeyZMNVRTOBORDTNV-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.31
Rot. Bonds3

About 2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole

2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole (PubChem CID 104669988) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
PubChem CID104669988
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2ccnnc2)o1
InChIInChI=1S/C8H7ClN4O/c9-3-1-7-12-13-8(14-7)6-2-4-10-11-5-6/h2,4-5H,1,3H2
InChIKeyZMNVRTOBORDTNV-UHFFFAOYSA-N
XLogP1.31
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 43513255
N-propyl-3-(5-pyridazin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 104672330
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39364415
2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole
CID 135969130
4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 39355727
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 39347320
2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 106752784
2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole
CID 66463788

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole (CID 104669988) is 2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole is ClCCc1nnc(-c2ccnnc2)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole?
The InChIKey is ZMNVRTOBORDTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c9-3-1-7-12-13-8(14-7)6-2-4-10-11-5-6/h2,4-5H,1,3H2.
What are the key properties of 2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole has a molecular weight of 210.62 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 104669988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).