N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide

C12H21N5O — CID 136924807

IUPACN'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide
SMILESCc1nnc(N(C)CC(C)C)c(/C(N)=N/O)c1C
InChIInChI=1S/C12H21N5O/c1-7(2)6-17(5)12-10(11(13)16-18)8(3)9(4)14-15-12/h7,18H,6H2,1-5H3,(H2,13,16)
InChIKeyUXSNYYIJNOSOTC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.28
Rot. Bonds4

About N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide

N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide (PubChem CID 136924807) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide
PubChem CID136924807
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide
SMILESCc1nnc(N(C)CC(C)C)c(/C(N)=N/O)c1C
InChIInChI=1S/C12H21N5O/c1-7(2)6-17(5)12-10(11(13)16-18)8(3)9(4)14-15-12/h7,18H,6H2,1-5H3,(H2,13,16)
InChIKeyUXSNYYIJNOSOTC-UHFFFAOYSA-N
XLogP1.28
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.28
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-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 137001921
N'-hydroxy-3-[1-hydroxypropan-2-yl(methyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 136951845
N'-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-5,6-dimethylpyridazine-4-carboximidamide
CID 136785587
3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924679
N'-hydroxy-5,6-dimethyl-3-(3-methylbutylsulfanyl)pyridazine-4-carboximidamide
CID 136806077
N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide
CID 136924886
N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide
CID 136924769
3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61378299
3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 61377341
N'-hydroxy-5,6-dimethyl-3-[methyl(thiolan-3-yl)amino]pyridazine-4-carboximidamide
CID 136924813
5-[bis(2-methylpropyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951942
N'-hydroxy-5,6-dimethyl-3-(3-methylbutan-2-ylsulfanyl)pyridazine-4-carboximidamide
CID 136927694

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide (CID 136924807) is N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide is Cc1nnc(N(C)CC(C)C)c(/C(N)=N/O)c1C.
What is the InChIKey of N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide?
The InChIKey is UXSNYYIJNOSOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-7(2)6-17(5)12-10(11(13)16-18)8(3)9(4)14-15-12/h7,18H,6H2,1-5H3,(H2,13,16).
What are the key properties of N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide?
N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide has a molecular weight of 251.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 136924807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).