N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide

C14H23N5O2 — CID 136811804

IUPACN'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(N2CCCC(CCO)C2)c(C(N)=NO)c1C
InChIInChI=1S/C14H23N5O2/c1-9-10(2)16-17-14(12(9)13(15)18-21)19-6-3-4-11(8-19)5-7-20/h11,20-21H,3-8H2,1-2H3,(H2,15,18)
InChIKeyAUKQHBNSWKFGFL-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.79
Rot. Bonds4

About N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide

N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 136811804) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID136811804
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(N2CCCC(CCO)C2)c(C(N)=NO)c1C
InChIInChI=1S/C14H23N5O2/c1-9-10(2)16-17-14(12(9)13(15)18-21)19-6-3-4-11(8-19)5-7-20/h11,20-21H,3-8H2,1-2H3,(H2,15,18)
InChIKeyAUKQHBNSWKFGFL-UHFFFAOYSA-N
XLogP0.79
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide
CID 136914270
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203
2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229347
N'-hydroxy-2-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227549
5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 55242512
[3-(3-ethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096215
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 107226933
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 79938613
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
CID 114072871
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 106587056
2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol
CID 107229306
2-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]ethanol
CID 107227067

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide (CID 136811804) is N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide is Cc1nnc(N2CCCC(CCO)C2)c(C(N)=NO)c1C.
What is the InChIKey of N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is AUKQHBNSWKFGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9-10(2)16-17-14(12(9)13(15)18-21)19-6-3-4-11(8-19)5-7-20/h11,20-21H,3-8H2,1-2H3,(H2,15,18).
What are the key properties of N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide?
N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 293.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 136811804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).