4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one

C12H19N5O — CID 102892713

IUPAC4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(Cc2ccnc(NN)c2)CC1=O
InChIInChI=1S/C12H19N5O/c1-16-5-2-6-17(9-12(16)18)8-10-3-4-14-11(7-10)15-13/h3-4,7H,2,5-6,8-9,13H2,1H3,(H,14,15)
InChIKeyQAXHWBFGCFXLQO-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.03
Rot. Bonds3

About 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one

4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102892713) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one
PubChem CID102892713
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(Cc2ccnc(NN)c2)CC1=O
InChIInChI=1S/C12H19N5O/c1-16-5-2-6-17(9-12(16)18)8-10-3-4-14-11(7-10)15-13/h3-4,7H,2,5-6,8-9,13H2,1H3,(H,14,15)
InChIKeyQAXHWBFGCFXLQO-UHFFFAOYSA-N
XLogP0.03
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-4-(pyridin-4-ylmethyl)-1,4-diazepan-2-one
CID 117005343
1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one
CID 64693745
2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107226403
4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892680
[4-[(4-methylazepan-1-yl)methyl]-2-pyridinyl]hydrazine
CID 63624320
1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-propylpiperazine-2,5-dione
CID 79941401
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-pyridinyl]hydrazine
CID 65281763
[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-pyridinyl]hydrazine
CID 62471385
1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one
CID 62471933
[4-(thiomorpholin-4-ylmethyl)-2-pyridinyl]hydrazine
CID 62472279
[4-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62472214
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 63008284

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one (CID 102892713) is 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one is CN1CCCN(Cc2ccnc(NN)c2)CC1=O.
What is the InChIKey of 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is QAXHWBFGCFXLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16-5-2-6-17(9-12(16)18)8-10-3-4-14-11(7-10)15-13/h3-4,7H,2,5-6,8-9,13H2,1H3,(H,14,15).
What are the key properties of 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one?
4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102892713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).