6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine

C9H10ClN5 — CID 102806146

IUPAC6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
SMILESCc1nn(C)cc1Nc1ccc(Cl)nn1
InChIInChI=1S/C9H10ClN5/c1-6-7(5-15(2)14-6)11-9-4-3-8(10)12-13-9/h3-5H,1-2H3,(H,11,13)
InChIKeyGOLNJYTVXHWKLC-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.92
Rot. Bonds2

About 6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine

6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine (PubChem CID 102806146) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
PubChem CID102806146
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
SMILESCc1nn(C)cc1Nc1ccc(Cl)nn1
InChIInChI=1S/C9H10ClN5/c1-6-7(5-15(2)14-6)11-9-4-3-8(10)12-13-9/h3-5H,1-2H3,(H,11,13)
InChIKeyGOLNJYTVXHWKLC-UHFFFAOYSA-N
XLogP1.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine (CID 102806146) is 6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine is Cc1nn(C)cc1Nc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
The InChIKey is GOLNJYTVXHWKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-6-7(5-15(2)14-6)11-9-4-3-8(10)12-13-9/h3-5H,1-2H3,(H,11,13).
What are the key properties of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine has a molecular weight of 223.67 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine is sourced from PubChem (CID 102806146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).