3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide

C7H12N4O2 — CID 19825651

IUPAC3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide
SMILESCC1=NN(C(=O)NN)C(=O)CCC1
InChIInChI=1S/C7H12N4O2/c1-5-3-2-4-6(12)11(10-5)7(13)9-8/h2-4,8H2,1H3,(H,9,13)
InChIKeyDLIONOWMIZEYOI-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.04
Rot. Bonds

About 3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide

3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide (PubChem CID 19825651) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide.

Molecular Properties

Compound Name3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide
PubChem CID19825651
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide
SMILESCC1=NN(C(=O)NN)C(=O)CCC1
InChIInChI=1S/C7H12N4O2/c1-5-3-2-4-6(12)11(10-5)7(13)9-8/h2-4,8H2,1H3,(H,9,13)
InChIKeyDLIONOWMIZEYOI-UHFFFAOYSA-N
XLogP-0.04
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide?
The IUPAC name of 3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide (CID 19825651) is 3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide.
What is the SMILES notation for 3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide?
The canonical SMILES for 3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide is CC1=NN(C(=O)NN)C(=O)CCC1.
What is the InChIKey of 3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide?
The InChIKey is DLIONOWMIZEYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5-3-2-4-6(12)11(10-5)7(13)9-8/h2-4,8H2,1H3,(H,9,13).
What are the key properties of 3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide?
3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide has a molecular weight of 184.20 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-oxo-5,6-dihydro-4H-diazepine-1-carbohydrazide is sourced from PubChem (CID 19825651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).