4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine

C11H7ClN4 — CID 86717263

IUPAC4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
SMILESClc1c(-c2ccccc2)nnc2[nH]ncc12
InChIInChI=1S/C11H7ClN4/c12-9-8-6-13-15-11(8)16-14-10(9)7-4-2-1-3-5-7/h1-6H,(H,13,15,16)
InChIKeyMJZJFHKRZLUKKG-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.67
Rot. Bonds1

About 4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine

4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine (PubChem CID 86717263) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
PubChem CID86717263
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
SMILESClc1c(-c2ccccc2)nnc2[nH]ncc12
InChIInChI=1S/C11H7ClN4/c12-9-8-6-13-15-11(8)16-14-10(9)7-4-2-1-3-5-7/h1-6H,(H,13,15,16)
InChIKeyMJZJFHKRZLUKKG-UHFFFAOYSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine (CID 86717263) is 4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine is Clc1c(-c2ccccc2)nnc2[nH]ncc12.
What is the InChIKey of 4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
The InChIKey is MJZJFHKRZLUKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-9-8-6-13-15-11(8)16-14-10(9)7-4-2-1-3-5-7/h1-6H,(H,13,15,16).
What are the key properties of 4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine has a molecular weight of 230.66 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 86717263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).