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

C5H3ClN4 — CID 135392485

IUPAC3-chloro-1H-pyrazolo[5,4-c]pyridazine
SMILESClc1n[nH]c2nnccc12
InChIInChI=1S/C5H3ClN4/c6-4-3-1-2-7-9-5(3)10-8-4/h1-2H,(H,8,9,10)
InChIKeyZFXCSYBGGNACFN-UHFFFAOYSA-N
MW154.56 g/mol
LogP1.01
Rot. Bonds

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

3-chloro-1H-pyrazolo[5,4-c]pyridazine (PubChem CID 135392485) has the molecular formula C5H3ClN4 and a molecular weight of 154.56 g/mol. Its IUPAC name is 3-chloro-1H-pyrazolo[5,4-c]pyridazine.

Molecular Properties

Compound Name3-chloro-1H-pyrazolo[5,4-c]pyridazine
PubChem CID135392485
Molecular FormulaC5H3ClN4
Molecular Weight154.56 g/mol
Exact Mass154.00
IUPAC Name3-chloro-1H-pyrazolo[5,4-c]pyridazine
SMILESClc1n[nH]c2nnccc12
InChIInChI=1S/C5H3ClN4/c6-4-3-1-2-7-9-5(3)10-8-4/h1-2H,(H,8,9,10)
InChIKeyZFXCSYBGGNACFN-UHFFFAOYSA-N
XLogP1.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1H-pyrazolo[5,4-c]pyridazine?
The IUPAC name of 3-chloro-1H-pyrazolo[5,4-c]pyridazine (CID 135392485) is 3-chloro-1H-pyrazolo[5,4-c]pyridazine.
What is the SMILES notation for 3-chloro-1H-pyrazolo[5,4-c]pyridazine?
The canonical SMILES for 3-chloro-1H-pyrazolo[5,4-c]pyridazine is Clc1n[nH]c2nnccc12.
What is the InChIKey of 3-chloro-1H-pyrazolo[5,4-c]pyridazine?
The InChIKey is ZFXCSYBGGNACFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-4-3-1-2-7-9-5(3)10-8-4/h1-2H,(H,8,9,10).
What are the key properties of 3-chloro-1H-pyrazolo[5,4-c]pyridazine?
3-chloro-1H-pyrazolo[5,4-c]pyridazine has a molecular weight of 154.56 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1H-pyrazolo[5,4-c]pyridazine is sourced from PubChem (CID 135392485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).