6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine

C8H7ClF3N3 — CID 106219694

IUPAC6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine
SMILESFC(F)(F)C1(Nc2cnnc(Cl)c2)CC1
InChIInChI=1S/C8H7ClF3N3/c9-6-3-5(4-13-15-6)14-7(1-2-7)8(10,11)12/h3-4H,1-2H2,(H,14,15)
InChIKeyMIDAKROKTIMZTL-UHFFFAOYSA-N
MW237.61 g/mol
LogP2.64
Rot. Bonds2

About 6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine

6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine (PubChem CID 106219694) has the molecular formula C8H7ClF3N3 and a molecular weight of 237.61 g/mol. Its IUPAC name is 6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine
PubChem CID106219694
Molecular FormulaC8H7ClF3N3
Molecular Weight237.61 g/mol
Exact Mass237.03
IUPAC Name6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine
SMILESFC(F)(F)C1(Nc2cnnc(Cl)c2)CC1
InChIInChI=1S/C8H7ClF3N3/c9-6-3-5(4-13-15-6)14-7(1-2-7)8(10,11)12/h3-4H,1-2H2,(H,14,15)
InChIKeyMIDAKROKTIMZTL-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 52.64
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-(trifluoromethyl)cyclopropyl]pyridazin-4-amine?
The IUPAC name of 6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine (CID 106219694) is 6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine is FC(F)(F)C1(Nc2cnnc(Cl)c2)CC1.
What is the InChIKey of 6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine?
The InChIKey is MIDAKROKTIMZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3/c9-6-3-5(4-13-15-6)14-7(1-2-7)8(10,11)12/h3-4H,1-2H2,(H,14,15).
What are the key properties of 6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine?
6-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine has a molecular weight of 237.61 g/mol, XLogP of 2.64, 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-(trifluoromethyl)cyclopropyl]pyridazin-4-amine is sourced from PubChem (CID 106219694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).