3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide

C10H12F3N5 — CID 80513480

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H12F3N5/c11-10(12,13)5-18(6-1-2-6)9-7(8(14)15)3-4-16-17-9/h3-4,6H,1-2,5H2,(H3,14,15)
InChIKeyHDDOTYKISIYTQC-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.29
Rot. Bonds4

About 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide (PubChem CID 80513480) has the molecular formula C10H12F3N5 and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide
PubChem CID80513480
Molecular FormulaC10H12F3N5
Molecular Weight259.23 g/mol
Exact Mass259.10
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H12F3N5/c11-10(12,13)5-18(6-1-2-6)9-7(8(14)15)3-4-16-17-9/h3-4,6H,1-2,5H2,(H3,14,15)
InChIKeyHDDOTYKISIYTQC-UHFFFAOYSA-N
XLogP1.29
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide (CID 80513480) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide?
The InChIKey is HDDOTYKISIYTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c11-10(12,13)5-18(6-1-2-6)9-7(8(14)15)3-4-16-17-9/h3-4,6H,1-2,5H2,(H3,14,15).
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide has a molecular weight of 259.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80513480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).