N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide

C14H17N5O — CID 136924769

IUPACN'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide
SMILESCc1nnc(N(C)c2ccccc2)c(/C(N)=N/O)c1C
InChIInChI=1S/C14H17N5O/c1-9-10(2)16-17-14(12(9)13(15)18-20)19(3)11-7-5-4-6-8-11/h4-8,20H,1-3H3,(H2,15,18)
InChIKeyQCFLJLAIPICLMN-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.96
Rot. Bonds3

About N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide

N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide (PubChem CID 136924769) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide
PubChem CID136924769
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide
SMILESCc1nnc(N(C)c2ccccc2)c(/C(N)=N/O)c1C
InChIInChI=1S/C14H17N5O/c1-9-10(2)16-17-14(12(9)13(15)18-20)19(3)11-7-5-4-6-8-11/h4-8,20H,1-3H3,(H2,15,18)
InChIKeyQCFLJLAIPICLMN-UHFFFAOYSA-N
XLogP1.96
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.96
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

N'-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-5,6-dimethylpyridazine-4-carboximidamide
CID 136785587
N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide
CID 136924807
3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924679
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-5,6-dimethyl-3-[methyl(thiolan-3-yl)amino]pyridazine-4-carboximidamide
CID 136924813
3-(3-methoxy-N-methylanilino)-5,6-dimethylpyridazine-4-carbothioamide
CID 62003206
3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924854
N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide
CID 81277641
N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide
CID 136924844
N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide
CID 136924888
3-(2-methoxy-N-methylanilino)-5,6-dimethylpyridazine-4-carbothioamide
CID 62002641

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide (CID 136924769) is N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide is Cc1nnc(N(C)c2ccccc2)c(/C(N)=N/O)c1C.
What is the InChIKey of N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide?
The InChIKey is QCFLJLAIPICLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-10(2)16-17-14(12(9)13(15)18-20)19(3)11-7-5-4-6-8-11/h4-8,20H,1-3H3,(H2,15,18).
What are the key properties of N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide?
N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 1.96, 3 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-(N-methylanilino)pyridazine-4-carboximidamide is sourced from PubChem (CID 136924769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).