3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide

C10H15F2N5O — CID 137001921

IUPAC3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(N(C)CC(F)F)c(C(N)=NO)c1C
InChIInChI=1S/C10H15F2N5O/c1-5-6(2)14-15-10(8(5)9(13)16-18)17(3)4-7(11)12/h7,18H,4H2,1-3H3,(H2,13,16)
InChIKeyDVLJZQPKJPDUDV-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.89
Rot. Bonds4

About 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide

3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 137001921) has the molecular formula C10H15F2N5O and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID137001921
Molecular FormulaC10H15F2N5O
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(N(C)CC(F)F)c(C(N)=NO)c1C
InChIInChI=1S/C10H15F2N5O/c1-5-6(2)14-15-10(8(5)9(13)16-18)17(3)4-7(11)12/h7,18H,4H2,1-3H3,(H2,13,16)
InChIKeyDVLJZQPKJPDUDV-UHFFFAOYSA-N
XLogP0.89
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (CID 137001921) is 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is Cc1nnc(N(C)CC(F)F)c(C(N)=NO)c1C.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is DVLJZQPKJPDUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N5O/c1-5-6(2)14-15-10(8(5)9(13)16-18)17(3)4-7(11)12/h7,18H,4H2,1-3H3,(H2,13,16).
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 259.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 137001921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).