3-chloro-5-(trifluoromethyl)pyridazin-4-amine

C5H3ClF3N3 — CID 117127364

IUPAC3-chloro-5-(trifluoromethyl)pyridazin-4-amine
SMILESNc1c(C(F)(F)F)cnnc1Cl
InChIInChI=1S/C5H3ClF3N3/c6-4-3(10)2(1-11-12-4)5(7,8)9/h1H,(H2,10,11)
InChIKeyJAXKNXDZARIFJN-UHFFFAOYSA-N
MW197.55 g/mol
LogP1.73
Rot. Bonds

About 3-chloro-5-(trifluoromethyl)pyridazin-4-amine

3-chloro-5-(trifluoromethyl)pyridazin-4-amine (PubChem CID 117127364) has the molecular formula C5H3ClF3N3 and a molecular weight of 197.55 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)pyridazin-4-amine
PubChem CID117127364
Molecular FormulaC5H3ClF3N3
Molecular Weight197.55 g/mol
Exact Mass197.00
IUPAC Name3-chloro-5-(trifluoromethyl)pyridazin-4-amine
SMILESNc1c(C(F)(F)F)cnnc1Cl
InChIInChI=1S/C5H3ClF3N3/c6-4-3(10)2(1-11-12-4)5(7,8)9/h1H,(H2,10,11)
InChIKeyJAXKNXDZARIFJN-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)pyridazin-4-amine?
The IUPAC name of 3-chloro-5-(trifluoromethyl)pyridazin-4-amine (CID 117127364) is 3-chloro-5-(trifluoromethyl)pyridazin-4-amine.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)pyridazin-4-amine?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)pyridazin-4-amine is Nc1c(C(F)(F)F)cnnc1Cl.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)pyridazin-4-amine?
The InChIKey is JAXKNXDZARIFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3/c6-4-3(10)2(1-11-12-4)5(7,8)9/h1H,(H2,10,11).
What are the key properties of 3-chloro-5-(trifluoromethyl)pyridazin-4-amine?
3-chloro-5-(trifluoromethyl)pyridazin-4-amine has a molecular weight of 197.55 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)pyridazin-4-amine is sourced from PubChem (CID 117127364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).