6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine

C8H7ClF3N3 — CID 172746200

IUPAC6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine
SMILESNc1nnc(Cl)cc1C1CC1C(F)(F)F
InChIInChI=1S/C8H7ClF3N3/c9-6-2-4(7(13)15-14-6)3-1-5(3)8(10,11)12/h2-3,5H,1H2,(H2,13,15)
InChIKeyJTJNUVQFCAFYDD-UHFFFAOYSA-N
MW237.61 g/mol
LogP2.38
Rot. Bonds1

About 6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine

6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine (PubChem CID 172746200) has the molecular formula C8H7ClF3N3 and a molecular weight of 237.61 g/mol. Its IUPAC name is 6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine
PubChem CID172746200
Molecular FormulaC8H7ClF3N3
Molecular Weight237.61 g/mol
Exact Mass237.03
IUPAC Name6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine
SMILESNc1nnc(Cl)cc1C1CC1C(F)(F)F
InChIInChI=1S/C8H7ClF3N3/c9-6-2-4(7(13)15-14-6)3-1-5(3)8(10,11)12/h2-3,5H,1H2,(H2,13,15)
InChIKeyJTJNUVQFCAFYDD-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine (CID 172746200) is 6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine is Nc1nnc(Cl)cc1C1CC1C(F)(F)F.
What is the InChIKey of 6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine?
The InChIKey is JTJNUVQFCAFYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3/c9-6-2-4(7(13)15-14-6)3-1-5(3)8(10,11)12/h2-3,5H,1H2,(H2,13,15).
What are the key properties of 6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine?
6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine has a molecular weight of 237.61 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine is sourced from PubChem (CID 172746200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).