3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine

C10H8Cl2N4 — CID 66022176

IUPAC3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine
SMILESClc1ccc(-n2nc(C3CC3)cc2Cl)nn1
InChIInChI=1S/C10H8Cl2N4/c11-8-3-4-10(14-13-8)16-9(12)5-7(15-16)6-1-2-6/h3-6H,1-2H2
InChIKeyHBVAGMGBJUONLX-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.85
Rot. Bonds2

About 3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine

3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine (PubChem CID 66022176) has the molecular formula C10H8Cl2N4 and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine
PubChem CID66022176
Molecular FormulaC10H8Cl2N4
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine
SMILESClc1ccc(-n2nc(C3CC3)cc2Cl)nn1
InChIInChI=1S/C10H8Cl2N4/c11-8-3-4-10(14-13-8)16-9(12)5-7(15-16)6-1-2-6/h3-6H,1-2H2
InChIKeyHBVAGMGBJUONLX-UHFFFAOYSA-N
XLogP2.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine (CID 66022176) is 3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine is Clc1ccc(-n2nc(C3CC3)cc2Cl)nn1.
What is the InChIKey of 3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine?
The InChIKey is HBVAGMGBJUONLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4/c11-8-3-4-10(14-13-8)16-9(12)5-7(15-16)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine?
3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine has a molecular weight of 255.11 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(5-chloro-3-cyclopropylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 66022176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).