3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile

C10H14N4O2 — CID 80510325

IUPAC3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
SMILESCOCCOCCNc1nnccc1C#N
InChIInChI=1S/C10H14N4O2/c1-15-6-7-16-5-4-12-10-9(8-11)2-3-13-14-10/h2-3H,4-7H2,1H3,(H,12,14)
InChIKeyQZPOHAVSTBRXCB-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.42
Rot. Bonds7

About 3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile

3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile (PubChem CID 80510325) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
PubChem CID80510325
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
SMILESCOCCOCCNc1nnccc1C#N
InChIInChI=1S/C10H14N4O2/c1-15-6-7-16-5-4-12-10-9(8-11)2-3-13-14-10/h2-3H,4-7H2,1H3,(H,12,14)
InChIKeyQZPOHAVSTBRXCB-UHFFFAOYSA-N
XLogP0.42
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
3-[3-(2-methylpropoxy)propylamino]pyridazine-4-carbonitrile
CID 114097998
3-[2-(4-aminophenoxy)ethylamino]pyridazine-4-carbonitrile
CID 80514941
3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile
CID 106254321
3-(3-phenoxypropylamino)pyridazine-4-carbonitrile
CID 80509509
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 80509197
4-[2-(2-methoxyethoxy)ethylamino]benzene-1,2-dicarbonitrile
CID 107789333
3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
CID 80510566
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80514883
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile (CID 80510325) is 3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile is COCCOCCNc1nnccc1C#N.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is QZPOHAVSTBRXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-15-6-7-16-5-4-12-10-9(8-11)2-3-13-14-10/h2-3H,4-7H2,1H3,(H,12,14).
What are the key properties of 3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile?
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).