3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide

C11H19N5O — CID 102698434

IUPAC3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(NCC(C)OC)nnc(C)c1C
InChIInChI=1S/C11H19N5O/c1-6(17-4)5-14-11-9(10(12)13)7(2)8(3)15-16-11/h6H,5H2,1-4H3,(H3,12,13)(H,14,16)
InChIKeyLYLXONHCCRZGPQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.82
Rot. Bonds5

About 3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide

3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 102698434) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID102698434
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(NCC(C)OC)nnc(C)c1C
InChIInChI=1S/C11H19N5O/c1-6(17-4)5-14-11-9(10(12)13)7(2)8(3)15-16-11/h6H,5H2,1-4H3,(H3,12,13)(H,14,16)
InChIKeyLYLXONHCCRZGPQ-UHFFFAOYSA-N
XLogP0.82
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-(2-methoxypropylamino)-6-methylpyridine-3-carboximidamide
CID 102698441
5-(2-methoxypropylamino)pyrazine-2-carboximidamide
CID 102698449
2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550711
6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine
CID 102699930
3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 61377341
3-(2,3-dimethylbutylamino)-5,6-dimethylpyridazine-4-carbothioamide
CID 64598722
3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090678
2-ethylsulfanyl-6-(2-methoxypropylamino)benzenecarboximidamide
CID 102698438
3-(2,2-difluoroethylamino)-5,6-dimethylpyridazine-4-carbothioamide
CID 115407225
3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 106665853
5,6-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridazine-4-carboximidamide
CID 112587803
3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 104562347

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide (CID 102698434) is 3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(NCC(C)OC)nnc(C)c1C.
What is the InChIKey of 3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is LYLXONHCCRZGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-6(17-4)5-14-11-9(10(12)13)7(2)8(3)15-16-11/h6H,5H2,1-4H3,(H3,12,13)(H,14,16).
What are the key properties of 3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide?
3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 102698434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).