1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one

C11H15N5O — CID 80582441

IUPAC1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one
SMILESCCn1ccn(Cc2ccc(NN)nc2)c1=O
InChIInChI=1S/C11H15N5O/c1-2-15-5-6-16(11(15)17)8-9-3-4-10(14-12)13-7-9/h3-7H,2,8,12H2,1H3,(H,13,14)
InChIKeyIIZRUICURPAWRA-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.40
Rot. Bonds4

About 1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one

1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one (PubChem CID 80582441) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one
PubChem CID80582441
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one
SMILESCCn1ccn(Cc2ccc(NN)nc2)c1=O
InChIInChI=1S/C11H15N5O/c1-2-15-5-6-16(11(15)17)8-9-3-4-10(14-12)13-7-9/h3-7H,2,8,12H2,1H3,(H,13,14)
InChIKeyIIZRUICURPAWRA-UHFFFAOYSA-N
XLogP0.40
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.40
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one (CID 80582441) is 1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one is CCn1ccn(Cc2ccc(NN)nc2)c1=O.
What is the InChIKey of 1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one?
The InChIKey is IIZRUICURPAWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-15-5-6-16(11(15)17)8-9-3-4-10(14-12)13-7-9/h3-7H,2,8,12H2,1H3,(H,13,14).
What are the key properties of 1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one?
1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one has a molecular weight of 233.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(6-hydrazinyl-3-pyridinyl)methyl]imidazol-2-one is sourced from PubChem (CID 80582441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).