3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide

C9H6Cl2F3N3O — CID 106211269

IUPAC3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H6Cl2F3N3O/c10-5-3-4(6(11)17-16-5)7(18)15-8(1-2-8)9(12,13)14/h3H,1-2H2,(H,15,18)
InChIKeyBEQGTQFXVXXALA-UHFFFAOYSA-N
MW300.07 g/mol
LogP2.61
Rot. Bonds2

About 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide

3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide (PubChem CID 106211269) has the molecular formula C9H6Cl2F3N3O and a molecular weight of 300.07 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
PubChem CID106211269
Molecular FormulaC9H6Cl2F3N3O
Molecular Weight300.07 g/mol
Exact Mass298.98
IUPAC Name3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H6Cl2F3N3O/c10-5-3-4(6(11)17-16-5)7(18)15-8(1-2-8)9(12,13)14/h3H,1-2H2,(H,15,18)
InChIKeyBEQGTQFXVXXALA-UHFFFAOYSA-N
XLogP2.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydrazinyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218313
4-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106211259
4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208223
3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
CID 106218185
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 43501013
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158345
2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106547554
3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide
CID 64929672

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide (CID 106211269) is 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide?
The InChIKey is BEQGTQFXVXXALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3N3O/c10-5-3-4(6(11)17-16-5)7(18)15-8(1-2-8)9(12,13)14/h3H,1-2H2,(H,15,18).
What are the key properties of 3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide?
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide has a molecular weight of 300.07 g/mol, XLogP of 2.61, 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]pyridazine-4-carboxamide is sourced from PubChem (CID 106211269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).