3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine

C8H6Cl2F3N3 — CID 106214766

IUPAC3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine
SMILESFC(F)(F)C1(Nc2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C8H6Cl2F3N3/c9-5-3-4(6(10)16-15-5)14-7(1-2-7)8(11,12)13/h3H,1-2H2,(H,14,15)
InChIKeySYFVRHWNYLHRCD-UHFFFAOYSA-N
MW272.06 g/mol
LogP3.29
Rot. Bonds2

About 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine

3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine (PubChem CID 106214766) has the molecular formula C8H6Cl2F3N3 and a molecular weight of 272.06 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine
PubChem CID106214766
Molecular FormulaC8H6Cl2F3N3
Molecular Weight272.06 g/mol
Exact Mass270.99
IUPAC Name3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine
SMILESFC(F)(F)C1(Nc2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C8H6Cl2F3N3/c9-5-3-4(6(10)16-15-5)14-7(1-2-7)8(11,12)13/h3H,1-2H2,(H,14,15)
InChIKeySYFVRHWNYLHRCD-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.06
LogP ≤ 53.29
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-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine (CID 106214766) is 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine is FC(F)(F)C1(Nc2cc(Cl)nnc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine?
The InChIKey is SYFVRHWNYLHRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3N3/c9-5-3-4(6(10)16-15-5)14-7(1-2-7)8(11,12)13/h3H,1-2H2,(H,14,15).
What are the key properties of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine?
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine has a molecular weight of 272.06 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazin-4-amine is sourced from PubChem (CID 106214766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).