3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide

C11H19N5O3 — CID 136924679

IUPAC3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(N(CCO)CCO)c(/C(N)=N/O)c1C
InChIInChI=1S/C11H19N5O3/c1-7-8(2)13-14-11(9(7)10(12)15-19)16(3-5-17)4-6-18/h17-19H,3-6H2,1-2H3,(H2,12,15)
InChIKeyRMDJRMPGEINYHX-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.02
Rot. Bonds6

About 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide

3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 136924679) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID136924679
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(N(CCO)CCO)c(/C(N)=N/O)c1C
InChIInChI=1S/C11H19N5O3/c1-7-8(2)13-14-11(9(7)10(12)15-19)16(3-5-17)4-6-18/h17-19H,3-6H2,1-2H3,(H2,12,15)
InChIKeyRMDJRMPGEINYHX-UHFFFAOYSA-N
XLogP-1.02
TPSA128.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-hydroxyethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61426032
N'-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-5,6-dimethylpyridazine-4-carboximidamide
CID 136785587
N'-hydroxy-3-[1-hydroxypropan-2-yl(methyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 136951845
N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide
CID 136924807
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 137001921
N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide
CID 136924769
N'-hydroxy-5,6-dimethyl-3-[methyl(thiolan-3-yl)amino]pyridazine-4-carboximidamide
CID 136924813
N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide
CID 136924927
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61098045
3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61378299
N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]pyrazine-2-carboximidamide
CID 137000488
N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide
CID 136924886

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (CID 136924679) is 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is Cc1nnc(N(CCO)CCO)c(/C(N)=N/O)c1C.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is RMDJRMPGEINYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-7-8(2)13-14-11(9(7)10(12)15-19)16(3-5-17)4-6-18/h17-19H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 269.30 g/mol, XLogP of -1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 136924679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).