7-chloro-2H-triazolo[4,5-c]pyridazine

C4H2ClN5 — CID 3500812

IUPAC7-chloro-2H-triazolo[4,5-c]pyridazine
SMILESClc1cnnc2n[nH]nc12
InChIInChI=1S/C4H2ClN5/c5-2-1-6-8-4-3(2)7-10-9-4/h1H,(H,7,8,9,10)
InChIKeyNJYYLIDAZQAURY-UHFFFAOYSA-N
MW155.55 g/mol
LogP0.40
Rot. Bonds

About 7-chloro-2H-triazolo[4,5-c]pyridazine

7-chloro-2H-triazolo[4,5-c]pyridazine (PubChem CID 3500812) has the molecular formula C4H2ClN5 and a molecular weight of 155.55 g/mol. Its IUPAC name is 7-chloro-2H-triazolo[4,5-c]pyridazine.

Molecular Properties

Compound Name7-chloro-2H-triazolo[4,5-c]pyridazine
PubChem CID3500812
Molecular FormulaC4H2ClN5
Molecular Weight155.55 g/mol
Exact Mass155.00
IUPAC Name7-chloro-2H-triazolo[4,5-c]pyridazine
SMILESClc1cnnc2n[nH]nc12
InChIInChI=1S/C4H2ClN5/c5-2-1-6-8-4-3(2)7-10-9-4/h1H,(H,7,8,9,10)
InChIKeyNJYYLIDAZQAURY-UHFFFAOYSA-N
XLogP0.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.55
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2H-triazolo[4,5-c]pyridazine?
The IUPAC name of 7-chloro-2H-triazolo[4,5-c]pyridazine (CID 3500812) is 7-chloro-2H-triazolo[4,5-c]pyridazine.
What is the SMILES notation for 7-chloro-2H-triazolo[4,5-c]pyridazine?
The canonical SMILES for 7-chloro-2H-triazolo[4,5-c]pyridazine is Clc1cnnc2n[nH]nc12.
What is the InChIKey of 7-chloro-2H-triazolo[4,5-c]pyridazine?
The InChIKey is NJYYLIDAZQAURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClN5/c5-2-1-6-8-4-3(2)7-10-9-4/h1H,(H,7,8,9,10).
What are the key properties of 7-chloro-2H-triazolo[4,5-c]pyridazine?
7-chloro-2H-triazolo[4,5-c]pyridazine has a molecular weight of 155.55 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2H-triazolo[4,5-c]pyridazine is sourced from PubChem (CID 3500812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).