3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine

C11H11ClN4O2 — CID 90060753

IUPAC3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine
SMILESClc1ccc(-c2cnn(CC3COCO3)c2)nn1
InChIInChI=1S/C11H11ClN4O2/c12-11-2-1-10(14-15-11)8-3-13-16(4-8)5-9-6-17-7-18-9/h1-4,9H,5-7H2
InChIKeyLNKIAZNIVSQZIM-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.37
Rot. Bonds3

About 3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine

3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine (PubChem CID 90060753) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine
PubChem CID90060753
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine
SMILESClc1ccc(-c2cnn(CC3COCO3)c2)nn1
InChIInChI=1S/C11H11ClN4O2/c12-11-2-1-10(14-15-11)8-3-13-16(4-8)5-9-6-17-7-18-9/h1-4,9H,5-7H2
InChIKeyLNKIAZNIVSQZIM-UHFFFAOYSA-N
XLogP1.37
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine?
The IUPAC name of 3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine (CID 90060753) is 3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine is Clc1ccc(-c2cnn(CC3COCO3)c2)nn1.
What is the InChIKey of 3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine?
The InChIKey is LNKIAZNIVSQZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c12-11-2-1-10(14-15-11)8-3-13-16(4-8)5-9-6-17-7-18-9/h1-4,9H,5-7H2.
What are the key properties of 3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine?
3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine has a molecular weight of 266.69 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[1-(1,3-dioxolan-4-ylmethyl)pyrazol-4-yl]pyridazine is sourced from PubChem (CID 90060753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).