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

C11H17N3O — CID 114391934

IUPAC4-(cycloheptylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NC2CCCCCC2)cn[nH]1
InChIInChI=1S/C11H17N3O/c15-11-7-10(8-12-14-11)13-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
InChIKeyKGTPPIWGWYCETE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.90
Rot. Bonds2

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

4-(cycloheptylamino)-1H-pyridazin-6-one (PubChem CID 114391934) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(cycloheptylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(cycloheptylamino)-1H-pyridazin-6-one
PubChem CID114391934
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(cycloheptylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NC2CCCCCC2)cn[nH]1
InChIInChI=1S/C11H17N3O/c15-11-7-10(8-12-14-11)13-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
InChIKeyKGTPPIWGWYCETE-UHFFFAOYSA-N
XLogP1.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(cycloheptylamino)-1H-pyridazin-6-one (CID 114391934) is 4-(cycloheptylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(cycloheptylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(cycloheptylamino)-1H-pyridazin-6-one is O=c1cc(NC2CCCCCC2)cn[nH]1.
What is the InChIKey of 4-(cycloheptylamino)-1H-pyridazin-6-one?
The InChIKey is KGTPPIWGWYCETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11-7-10(8-12-14-11)13-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15).
What are the key properties of 4-(cycloheptylamino)-1H-pyridazin-6-one?
4-(cycloheptylamino)-1H-pyridazin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114391934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).