2-azabicyclo[2.1.1]hexane-1-carbohydrazide

C6H11N3O — CID 164655163

IUPAC2-azabicyclo[2.1.1]hexane-1-carbohydrazide
SMILESNNC(=O)C12CC(CN1)C2
InChIInChI=1S/C6H11N3O/c7-9-5(10)6-1-4(2-6)3-8-6/h4,8H,1-3,7H2,(H,9,10)
InChIKeyJFWXYVUNAPJIDC-UHFFFAOYSA-N
MW141.17 g/mol
LogP-1.27
Rot. Bonds1

About 2-azabicyclo[2.1.1]hexane-1-carbohydrazide

2-azabicyclo[2.1.1]hexane-1-carbohydrazide (PubChem CID 164655163) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexane-1-carbohydrazide.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexane-1-carbohydrazide
PubChem CID164655163
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-azabicyclo[2.1.1]hexane-1-carbohydrazide
SMILESNNC(=O)C12CC(CN1)C2
InChIInChI=1S/C6H11N3O/c7-9-5(10)6-1-4(2-6)3-8-6/h4,8H,1-3,7H2,(H,9,10)
InChIKeyJFWXYVUNAPJIDC-UHFFFAOYSA-N
XLogP-1.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-1.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.1.1]hexane-1-carbohydrazide?
The IUPAC name of 2-azabicyclo[2.1.1]hexane-1-carbohydrazide (CID 164655163) is 2-azabicyclo[2.1.1]hexane-1-carbohydrazide.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexane-1-carbohydrazide?
The canonical SMILES for 2-azabicyclo[2.1.1]hexane-1-carbohydrazide is NNC(=O)C12CC(CN1)C2.
What is the InChIKey of 2-azabicyclo[2.1.1]hexane-1-carbohydrazide?
The InChIKey is JFWXYVUNAPJIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-9-5(10)6-1-4(2-6)3-8-6/h4,8H,1-3,7H2,(H,9,10).
What are the key properties of 2-azabicyclo[2.1.1]hexane-1-carbohydrazide?
2-azabicyclo[2.1.1]hexane-1-carbohydrazide has a molecular weight of 141.17 g/mol, XLogP of -1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.1.1]hexane-1-carbohydrazide is sourced from PubChem (CID 164655163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).