6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine

C7H7ClF3N3 — CID 130834595

IUPAC6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine
SMILESCC(Nc1cnnc(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3/c1-4(7(9,10)11)13-5-2-6(8)14-12-3-5/h2-4H,1H3,(H,13,14)
InChIKeyWHTOGPZEGKGAIJ-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.49
Rot. Bonds2

About 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine

6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine (PubChem CID 130834595) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine
PubChem CID130834595
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine
SMILESCC(Nc1cnnc(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3/c1-4(7(9,10)11)13-5-2-6(8)14-12-3-5/h2-4H,1H3,(H,13,14)
InChIKeyWHTOGPZEGKGAIJ-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine (CID 130834595) is 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine is CC(Nc1cnnc(Cl)c1)C(F)(F)F.
What is the InChIKey of 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine?
The InChIKey is WHTOGPZEGKGAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c1-4(7(9,10)11)13-5-2-6(8)14-12-3-5/h2-4H,1H3,(H,13,14).
What are the key properties of 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine?
6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine has a molecular weight of 225.60 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,1,1-trifluoropropan-2-yl)pyridazin-4-amine is sourced from PubChem (CID 130834595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).