6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine

C13H14ClN3 — CID 43090207

IUPAC6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine
SMILESCC(C)c1cccc(Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C13H14ClN3/c1-9(2)10-4-3-5-11(8-10)15-13-7-6-12(14)16-17-13/h3-9H,1-2H3,(H,15,17)
InChIKeyWBVYUCNRGMKDQE-UHFFFAOYSA-N
MW247.73 g/mol
LogP4.00
Rot. Bonds3

About 6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine

6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine (PubChem CID 43090207) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine
PubChem CID43090207
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine
SMILESCC(C)c1cccc(Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C13H14ClN3/c1-9(2)10-4-3-5-11(8-10)15-13-7-6-12(14)16-17-13/h3-9H,1-2H3,(H,15,17)
InChIKeyWBVYUCNRGMKDQE-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine (CID 43090207) is 6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine is CC(C)c1cccc(Nc2ccc(Cl)nn2)c1.
What is the InChIKey of 6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine?
The InChIKey is WBVYUCNRGMKDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9(2)10-4-3-5-11(8-10)15-13-7-6-12(14)16-17-13/h3-9H,1-2H3,(H,15,17).
What are the key properties of 6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine?
6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine has a molecular weight of 247.73 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-propan-2-ylphenyl)pyridazin-3-amine is sourced from PubChem (CID 43090207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).