3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide

C10H17N5O — CID 81056507

IUPAC3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(C)CCOCC
InChIInChI=1S/C10H17N5O/c1-3-16-7-6-15(2)10-8(9(11)12)4-5-13-14-10/h4-5H,3,6-7H2,1-2H3,(H3,11,12)
InChIKeyNNRCBYHXSWOMEU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.23
Rot. Bonds6

About 3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide

3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide (PubChem CID 81056507) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
PubChem CID81056507
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(C)CCOCC
InChIInChI=1S/C10H17N5O/c1-3-16-7-6-15(2)10-8(9(11)12)4-5-13-14-10/h4-5H,3,6-7H2,1-2H3,(H3,11,12)
InChIKeyNNRCBYHXSWOMEU-UHFFFAOYSA-N
XLogP0.23
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
CID 80512957
3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513486
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboximidamide
CID 55227687
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
CID 80513561
2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 81055007
3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80513543
3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513387
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridazine-4-carboximidamide
CID 80513541
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide
CID 55227879

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide (CID 81056507) is 3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N(C)CCOCC.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide?
The InChIKey is NNRCBYHXSWOMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-16-7-6-15(2)10-8(9(11)12)4-5-13-14-10/h4-5H,3,6-7H2,1-2H3,(H3,11,12).
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide?
3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide has a molecular weight of 223.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 81056507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).