[(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine

C12H17N5O — CID 105258126

IUPAC[(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine
SMILESCCOc1cncc(C(NN)c2nccn2C)c1
InChIInChI=1S/C12H17N5O/c1-3-18-10-6-9(7-14-8-10)11(16-13)12-15-4-5-17(12)2/h4-8,11,16H,3,13H2,1-2H3
InChIKeyXGMAEXMBUQKYBY-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.77
Rot. Bonds5

About [(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine

[(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine (PubChem CID 105258126) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine
PubChem CID105258126
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine
SMILESCCOc1cncc(C(NN)c2nccn2C)c1
InChIInChI=1S/C12H17N5O/c1-3-18-10-6-9(7-14-8-10)11(16-13)12-15-4-5-17(12)2/h4-8,11,16H,3,13H2,1-2H3
InChIKeyXGMAEXMBUQKYBY-UHFFFAOYSA-N
XLogP0.77
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1-methylimidazol-2-yl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105258086
bis(1-methylimidazol-2-yl)methylhydrazine
CID 105258117
[(3,5-dichlorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329954
[(1-ethylpyrazol-4-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105258084
[(5-ethoxy-3-pyridinyl)-(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254414
[(3,5-dimethyl-2-pyridinyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105266409
[(3-chloro-2-pyridinyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 103445839
[(4-chloro-2,5-difluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329963
[(2,4-difluoro-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329988
[(2,3-difluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329980
[(5-ethoxy-3-pyridinyl)-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105211593
[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330014

Frequently Asked Questions

What is the IUPAC name of [(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine (CID 105258126) is [(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine is CCOc1cncc(C(NN)c2nccn2C)c1.
What is the InChIKey of [(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
The InChIKey is XGMAEXMBUQKYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-18-10-6-9(7-14-8-10)11(16-13)12-15-4-5-17(12)2/h4-8,11,16H,3,13H2,1-2H3.
What are the key properties of [(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
[(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine has a molecular weight of 247.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 105258126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).