azepane-2-carbohydrazide

C7H15N3O — CID 64570757

IUPACazepane-2-carbohydrazide
SMILESNNC(=O)C1CCCCCN1
InChIInChI=1S/C7H15N3O/c8-10-7(11)6-4-2-1-3-5-9-6/h6,9H,1-5,8H2,(H,10,11)
InChIKeyIIEMHEMZLVMHBG-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.49
Rot. Bonds1

About azepane-2-carbohydrazide

azepane-2-carbohydrazide (PubChem CID 64570757) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is azepane-2-carbohydrazide.

Molecular Properties

Compound Nameazepane-2-carbohydrazide
PubChem CID64570757
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Nameazepane-2-carbohydrazide
SMILESNNC(=O)C1CCCCCN1
InChIInChI=1S/C7H15N3O/c8-10-7(11)6-4-2-1-3-5-9-6/h6,9H,1-5,8H2,(H,10,11)
InChIKeyIIEMHEMZLVMHBG-UHFFFAOYSA-N
XLogP-0.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze azepane-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentylazepane-2-carboxamide
CID 64564743
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide
CID 106188267
N-cyclopropylsulfonylazepane-2-carboxamide
CID 103308651
azacyclohenicosane-2-carboxylic acid
CID 22341743
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
(2S)-N-cyanopiperidine-2-carboxamide
CID 104914224
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254
N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide
CID 114123094
N-[(1S)-1-cyclopentylethyl]azepane-2-carboxamide
CID 81390656

Frequently Asked Questions

What is the IUPAC name of azepane-2-carbohydrazide?
The IUPAC name of azepane-2-carbohydrazide (CID 64570757) is azepane-2-carbohydrazide.
What is the SMILES notation for azepane-2-carbohydrazide?
The canonical SMILES for azepane-2-carbohydrazide is NNC(=O)C1CCCCCN1.
What is the InChIKey of azepane-2-carbohydrazide?
The InChIKey is IIEMHEMZLVMHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-10-7(11)6-4-2-1-3-5-9-6/h6,9H,1-5,8H2,(H,10,11).
What are the key properties of azepane-2-carbohydrazide?
azepane-2-carbohydrazide has a molecular weight of 157.22 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepane-2-carbohydrazide is sourced from PubChem (CID 64570757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).