1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one

C12H17N5O — CID 80582629

IUPAC1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(Cc2ccc(NN)nc2)c1=O
InChIInChI=1S/C12H17N5O/c1-9(2)17-6-5-16(12(17)18)8-10-3-4-11(15-13)14-7-10/h3-7,9H,8,13H2,1-2H3,(H,14,15)
InChIKeyKLGNLDDGFDUECL-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.96
Rot. Bonds4

About 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one

1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80582629) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one
PubChem CID80582629
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(Cc2ccc(NN)nc2)c1=O
InChIInChI=1S/C12H17N5O/c1-9(2)17-6-5-16(12(17)18)8-10-3-4-11(15-13)14-7-10/h3-7,9H,8,13H2,1-2H3,(H,14,15)
InChIKeyKLGNLDDGFDUECL-UHFFFAOYSA-N
XLogP0.96
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.96
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-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one (CID 80582629) is 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(Cc2ccc(NN)nc2)c1=O.
What is the InChIKey of 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is KLGNLDDGFDUECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(2)17-6-5-16(12(17)18)8-10-3-4-11(15-13)14-7-10/h3-7,9H,8,13H2,1-2H3,(H,14,15).
What are the key properties of 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one?
1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80582629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).