3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide

C11H19N5O — CID 106549390

IUPAC3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)c1cc(C)cnn1
InChIInChI=1S/C11H19N5O/c1-4-16(7-9(3)11(12)15-17)10-5-8(2)6-13-14-10/h5-6,9,17H,4,7H2,1-3H3,(H2,12,15)
InChIKeyZYFGGRQFWRUFIE-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.99
Rot. Bonds5

About 3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 106549390) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID106549390
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)c1cc(C)cnn1
InChIInChI=1S/C11H19N5O/c1-4-16(7-9(3)11(12)15-17)10-5-8(2)6-13-14-10/h5-6,9,17H,4,7H2,1-3H3,(H2,12,15)
InChIKeyZYFGGRQFWRUFIE-UHFFFAOYSA-N
XLogP0.99
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.99
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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Related Compounds

3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide
CID 106549298
3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 105366621
3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 115354893
3-[ethyl-(1-methylimidazol-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76936481
3-[ethyl-(5-methylpyridazin-3-yl)amino]propanenitrile
CID 106549278
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,5-dimethylpyridine-3-carboxamide
CID 77072776
3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide
CID 106549306
3-[1,3-benzoxazol-2-yl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987730
4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide
CID 76910339
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992230
N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 54992328
3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82927481

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 106549390) is 3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)/C(N)=N/O)c1cc(C)cnn1.
What is the InChIKey of 3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ZYFGGRQFWRUFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-16(7-9(3)11(12)15-17)10-5-8(2)6-13-14-10/h5-6,9,17H,4,7H2,1-3H3,(H2,12,15).
What are the key properties of 3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 237.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 106549390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).