4-(cyclohexylmethylamino)-1H-pyridazin-6-one

C11H17N3O — CID 114391944

IUPAC4-(cyclohexylmethylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCC2CCCCC2)cn[nH]1
InChIInChI=1S/C11H17N3O/c15-11-6-10(8-13-14-11)12-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,12,14,15)
InChIKeyKYRZOWZLLMNFDV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.76
Rot. Bonds3

About 4-(cyclohexylmethylamino)-1H-pyridazin-6-one

4-(cyclohexylmethylamino)-1H-pyridazin-6-one (PubChem CID 114391944) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)-1H-pyridazin-6-one
PubChem CID114391944
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(cyclohexylmethylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCC2CCCCC2)cn[nH]1
InChIInChI=1S/C11H17N3O/c15-11-6-10(8-13-14-11)12-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,12,14,15)
InChIKeyKYRZOWZLLMNFDV-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(cyclohexylmethylamino)-1H-pyridazin-6-one (CID 114391944) is 4-(cyclohexylmethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(cyclohexylmethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(cyclohexylmethylamino)-1H-pyridazin-6-one is O=c1cc(NCC2CCCCC2)cn[nH]1.
What is the InChIKey of 4-(cyclohexylmethylamino)-1H-pyridazin-6-one?
The InChIKey is KYRZOWZLLMNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11-6-10(8-13-14-11)12-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,12,14,15).
What are the key properties of 4-(cyclohexylmethylamino)-1H-pyridazin-6-one?
4-(cyclohexylmethylamino)-1H-pyridazin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114391944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).