1-pyridin-2-ylcyclohexane-1-carbohydrazide

C12H17N3O — CID 116844535

IUPAC1-pyridin-2-ylcyclohexane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccccn2)CCCCC1
InChIInChI=1S/C12H17N3O/c13-15-11(16)12(7-3-1-4-8-12)10-6-2-5-9-14-10/h2,5-6,9H,1,3-4,7-8,13H2,(H,15,16)
InChIKeyUBJKXGJPCUYOAT-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.27
Rot. Bonds2

About 1-pyridin-2-ylcyclohexane-1-carbohydrazide

1-pyridin-2-ylcyclohexane-1-carbohydrazide (PubChem CID 116844535) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-pyridin-2-ylcyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name1-pyridin-2-ylcyclohexane-1-carbohydrazide
PubChem CID116844535
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-pyridin-2-ylcyclohexane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccccn2)CCCCC1
InChIInChI=1S/C12H17N3O/c13-15-11(16)12(7-3-1-4-8-12)10-6-2-5-9-14-10/h2,5-6,9H,1,3-4,7-8,13H2,(H,15,16)
InChIKeyUBJKXGJPCUYOAT-UHFFFAOYSA-N
XLogP1.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
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 1-pyridin-2-ylcyclohexane-1-carbohydrazide?
The IUPAC name of 1-pyridin-2-ylcyclohexane-1-carbohydrazide (CID 116844535) is 1-pyridin-2-ylcyclohexane-1-carbohydrazide.
What is the SMILES notation for 1-pyridin-2-ylcyclohexane-1-carbohydrazide?
The canonical SMILES for 1-pyridin-2-ylcyclohexane-1-carbohydrazide is NNC(=O)C1(c2ccccn2)CCCCC1.
What is the InChIKey of 1-pyridin-2-ylcyclohexane-1-carbohydrazide?
The InChIKey is UBJKXGJPCUYOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-15-11(16)12(7-3-1-4-8-12)10-6-2-5-9-14-10/h2,5-6,9H,1,3-4,7-8,13H2,(H,15,16).
What are the key properties of 1-pyridin-2-ylcyclohexane-1-carbohydrazide?
1-pyridin-2-ylcyclohexane-1-carbohydrazide has a molecular weight of 219.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylcyclohexane-1-carbohydrazide is sourced from PubChem (CID 116844535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).