4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide

C11H16N4O2 — CID 86642059

IUPAC4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C11H16N4O2/c12-15-11(16)8-1-3-9(4-2-8)17-10-5-6-13-7-14-10/h5-9H,1-4,12H2,(H,15,16)
InChIKeyGGBTUJGXSIHNJX-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.40
Rot. Bonds3

About 4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide

4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide (PubChem CID 86642059) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide
PubChem CID86642059
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C11H16N4O2/c12-15-11(16)8-1-3-9(4-2-8)17-10-5-6-13-7-14-10/h5-9H,1-4,12H2,(H,15,16)
InChIKeyGGBTUJGXSIHNJX-UHFFFAOYSA-N
XLogP0.40
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide?
The IUPAC name of 4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide (CID 86642059) is 4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide?
The canonical SMILES for 4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide is NNC(=O)C1CCC(Oc2ccncn2)CC1.
What is the InChIKey of 4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide?
The InChIKey is GGBTUJGXSIHNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-15-11(16)8-1-3-9(4-2-8)17-10-5-6-13-7-14-10/h5-9H,1-4,12H2,(H,15,16).
What are the key properties of 4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide?
4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide has a molecular weight of 236.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-4-yloxycyclohexane-1-carbohydrazide is sourced from PubChem (CID 86642059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).