2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide

C11H12N4O — CID 137183637

IUPAC2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide
SMILESNNC(=O)CC1=NNc2ccccc2C=C1
InChIInChI=1S/C11H12N4O/c12-13-11(16)7-9-6-5-8-3-1-2-4-10(8)15-14-9/h1-6,15H,7,12H2,(H,13,16)
InChIKeyWQZIMPUBBZZVLR-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.86
Rot. Bonds2

About 2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide

2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide (PubChem CID 137183637) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide
PubChem CID137183637
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide
SMILESNNC(=O)CC1=NNc2ccccc2C=C1
InChIInChI=1S/C11H12N4O/c12-13-11(16)7-9-6-5-8-3-1-2-4-10(8)15-14-9/h1-6,15H,7,12H2,(H,13,16)
InChIKeyWQZIMPUBBZZVLR-UHFFFAOYSA-N
XLogP0.86
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.86
H-Bond Donors ≤ 53
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 2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide?
The IUPAC name of 2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide (CID 137183637) is 2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide?
The canonical SMILES for 2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide is NNC(=O)CC1=NNc2ccccc2C=C1.
What is the InChIKey of 2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide?
The InChIKey is WQZIMPUBBZZVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-13-11(16)7-9-6-5-8-3-1-2-4-10(8)15-14-9/h1-6,15H,7,12H2,(H,13,16).
What are the key properties of 2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide?
2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide has a molecular weight of 216.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2-benzodiazepin-3-yl)acetohydrazide is sourced from PubChem (CID 137183637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).