3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine

C11H17Cl2N3 — CID 83143505

IUPAC3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine
SMILESCC(CNc1cc(Cl)nnc1Cl)C(C)(C)C
InChIInChI=1S/C11H17Cl2N3/c1-7(11(2,3)4)6-14-8-5-9(12)15-16-10(8)13/h5,7H,6H2,1-4H3,(H,14,15)
InChIKeyAEBQLKSMCJIPNM-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.88
Rot. Bonds3

About 3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine

3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine (PubChem CID 83143505) has the molecular formula C11H17Cl2N3 and a molecular weight of 262.18 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine
PubChem CID83143505
Molecular FormulaC11H17Cl2N3
Molecular Weight262.18 g/mol
Exact Mass261.08
IUPAC Name3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine
SMILESCC(CNc1cc(Cl)nnc1Cl)C(C)(C)C
InChIInChI=1S/C11H17Cl2N3/c1-7(11(2,3)4)6-14-8-5-9(12)15-16-10(8)13/h5,7H,6H2,1-4H3,(H,14,15)
InChIKeyAEBQLKSMCJIPNM-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine (CID 83143505) is 3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine is CC(CNc1cc(Cl)nnc1Cl)C(C)(C)C.
What is the InChIKey of 3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine?
The InChIKey is AEBQLKSMCJIPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3/c1-7(11(2,3)4)6-14-8-5-9(12)15-16-10(8)13/h5,7H,6H2,1-4H3,(H,14,15).
What are the key properties of 3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine?
3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine has a molecular weight of 262.18 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine is sourced from PubChem (CID 83143505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).