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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Related Compounds

CID 69039149
CID 69039149
CID 70812437
CID 70812437
CID 70812916
CID 70812916
CID 124083985
CID 124083985
CID 124085805
CID 124085805
CID 131992329
CID 131992329
CID 133054880
CID 133054880
CID 138626954
CID 138626954
CID 153337957
CID 153337957
CID 167420830
CID 167420830
CID 174349064
CID 174349064
CID 174490330
CID 174490330

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).