4-chloro-1-methylpyrazolo[3,4-d]pyridazine

C6H5ClN4 — CID 13381158

IUPAC4-chloro-1-methylpyrazolo[3,4-d]pyridazine
SMILESCn1ncc2c(Cl)nncc21
InChIInChI=1S/C6H5ClN4/c1-11-5-3-8-10-6(7)4(5)2-9-11/h2-3H,1H3
InChIKeyOOSFNBIADBTZJX-UHFFFAOYSA-N
MW168.59 g/mol
LogP1.02
Rot. Bonds

About 4-chloro-1-methylpyrazolo[3,4-d]pyridazine

4-chloro-1-methylpyrazolo[3,4-d]pyridazine (PubChem CID 13381158) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name4-chloro-1-methylpyrazolo[3,4-d]pyridazine
PubChem CID13381158
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name4-chloro-1-methylpyrazolo[3,4-d]pyridazine
SMILESCn1ncc2c(Cl)nncc21
InChIInChI=1S/C6H5ClN4/c1-11-5-3-8-10-6(7)4(5)2-9-11/h2-3H,1H3
InChIKeyOOSFNBIADBTZJX-UHFFFAOYSA-N
XLogP1.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 4-chloro-1-methylpyrazolo[3,4-d]pyridazine (CID 13381158) is 4-chloro-1-methylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 4-chloro-1-methylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 4-chloro-1-methylpyrazolo[3,4-d]pyridazine is Cn1ncc2c(Cl)nncc21.
What is the InChIKey of 4-chloro-1-methylpyrazolo[3,4-d]pyridazine?
The InChIKey is OOSFNBIADBTZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c1-11-5-3-8-10-6(7)4(5)2-9-11/h2-3H,1H3.
What are the key properties of 4-chloro-1-methylpyrazolo[3,4-d]pyridazine?
4-chloro-1-methylpyrazolo[3,4-d]pyridazine has a molecular weight of 168.59 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 13381158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).