6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C11H13ClF3N3 — CID 55169869

IUPAC6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(N(CC(F)(F)F)C2CC2)c1C
InChIInChI=1S/C11H13ClF3N3/c1-6-7(2)10(17-16-9(6)12)18(8-3-4-8)5-11(13,14)15/h8H,3-5H2,1-2H3
InChIKeyGUTWTCNMSNWFTH-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.28
Rot. Bonds3

About 6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 55169869) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID55169869
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(N(CC(F)(F)F)C2CC2)c1C
InChIInChI=1S/C11H13ClF3N3/c1-6-7(2)10(17-16-9(6)12)18(8-3-4-8)5-11(13,14)15/h8H,3-5H2,1-2H3
InChIKeyGUTWTCNMSNWFTH-UHFFFAOYSA-N
XLogP3.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-ethyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55169868
6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 61607511
6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 63271501
6-chloro-N,4,5-trimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 63271550
6-chloro-4,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 63271601
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 63271640
6-chloro-4,5-dimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 63272307
3-Chloro-4,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
CID 63272440
6-chloro-N,4,5-trimethyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 65531582
3-Chloro-4,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridazine
CID 65531784
3-Chloro-4,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine
CID 65532564
6-chloro-4,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine
CID 105938567

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 55169869) is 6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is Cc1c(Cl)nnc(N(CC(F)(F)F)C2CC2)c1C.
What is the InChIKey of 6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is GUTWTCNMSNWFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c1-6-7(2)10(17-16-9(6)12)18(8-3-4-8)5-11(13,14)15/h8H,3-5H2,1-2H3.
What are the key properties of 6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 279.69 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 55169869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).