N-tert-butyl-6-chloropyridazin-3-amine

C8H12ClN3 — CID 43090240

IUPACN-tert-butyl-6-chloropyridazin-3-amine
SMILESCC(C)(C)Nc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3/c1-8(2,3)10-7-5-4-6(9)11-12-7/h4-5H,1-3H3,(H,10,12)
InChIKeyOTMIXIPZHQFDMJ-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.34
Rot. Bonds1

About N-tert-butyl-6-chloropyridazin-3-amine

N-tert-butyl-6-chloropyridazin-3-amine (PubChem CID 43090240) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is N-tert-butyl-6-chloropyridazin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-6-chloropyridazin-3-amine
PubChem CID43090240
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC NameN-tert-butyl-6-chloropyridazin-3-amine
SMILESCC(C)(C)Nc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3/c1-8(2,3)10-7-5-4-6(9)11-12-7/h4-5H,1-3H3,(H,10,12)
InChIKeyOTMIXIPZHQFDMJ-UHFFFAOYSA-N
XLogP2.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloropyridazin-3-amine?
The IUPAC name of N-tert-butyl-6-chloropyridazin-3-amine (CID 43090240) is N-tert-butyl-6-chloropyridazin-3-amine.
What is the SMILES notation for N-tert-butyl-6-chloropyridazin-3-amine?
The canonical SMILES for N-tert-butyl-6-chloropyridazin-3-amine is CC(C)(C)Nc1ccc(Cl)nn1.
What is the InChIKey of N-tert-butyl-6-chloropyridazin-3-amine?
The InChIKey is OTMIXIPZHQFDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-8(2,3)10-7-5-4-6(9)11-12-7/h4-5H,1-3H3,(H,10,12).
What are the key properties of N-tert-butyl-6-chloropyridazin-3-amine?
N-tert-butyl-6-chloropyridazin-3-amine has a molecular weight of 185.66 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloropyridazin-3-amine is sourced from PubChem (CID 43090240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).