1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one

C12H17N5O — CID 80582560

IUPAC1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cccnc2NN)c1=O
InChIInChI=1S/C12H17N5O/c1-2-6-16-7-8-17(12(16)18)9-10-4-3-5-14-11(10)15-13/h3-5,7-8H,2,6,9,13H2,1H3,(H,14,15)
InChIKeyKYAWWZZWCFEDNV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.79
Rot. Bonds5

About 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one

1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one (PubChem CID 80582560) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one
PubChem CID80582560
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cccnc2NN)c1=O
InChIInChI=1S/C12H17N5O/c1-2-6-16-7-8-17(12(16)18)9-10-4-3-5-14-11(10)15-13/h3-5,7-8H,2,6,9,13H2,1H3,(H,14,15)
InChIKeyKYAWWZZWCFEDNV-UHFFFAOYSA-N
XLogP0.79
TPSA77.87 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 ≤ 50.79
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-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one
CID 63172479
3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one
CID 114761524
1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one
CID 80583349
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one
CID 107353254
5-[(2-hydrazinyl-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446794
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763
1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 107347736
1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione
CID 62927533
3-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]pyridine-2-carbothioamide
CID 63801009
[3-[(4-ethoxypiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62470788
4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione
CID 66062201
1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 79355556

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one (CID 80582560) is 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2cccnc2NN)c1=O.
What is the InChIKey of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one?
The InChIKey is KYAWWZZWCFEDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-6-16-7-8-17(12(16)18)9-10-4-3-5-14-11(10)15-13/h3-5,7-8H,2,6,9,13H2,1H3,(H,14,15).
What are the key properties of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one?
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80582560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).