(1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium

C10H14N5O+ — CID 143705890

IUPAC(1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium
SMILESN=[N+]=Nc1ccc(=O)n(C2CCCCC2)n1
InChIInChI=1S/C10H14N5O/c11-14-12-9-6-7-10(16)15(13-9)8-4-2-1-3-5-8/h6-8,11H,1-5H2/q+1
InChIKeyDWTLRSJMSJFLNH-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.93
Rot. Bonds2

About (1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium

(1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium (PubChem CID 143705890) has the molecular formula C10H14N5O+ and a molecular weight of 220.26 g/mol. Its IUPAC name is (1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium.

Molecular Properties

Compound Name(1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium
PubChem CID143705890
Molecular FormulaC10H14N5O+
Molecular Weight220.26 g/mol
Exact Mass220.12
IUPAC Name(1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium
SMILESN=[N+]=Nc1ccc(=O)n(C2CCCCC2)n1
InChIInChI=1S/C10H14N5O/c11-14-12-9-6-7-10(16)15(13-9)8-4-2-1-3-5-8/h6-8,11H,1-5H2/q+1
InChIKeyDWTLRSJMSJFLNH-UHFFFAOYSA-N
XLogP1.93
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-Amino-2-(4,4-difluorocyclohexyl)pyridazin-3-one
CID 170791203

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium?
The IUPAC name of (1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium (CID 143705890) is (1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium.
What is the SMILES notation for (1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium?
The canonical SMILES for (1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium is N=[N+]=Nc1ccc(=O)n(C2CCCCC2)n1.
What is the InChIKey of (1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium?
The InChIKey is DWTLRSJMSJFLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N5O/c11-14-12-9-6-7-10(16)15(13-9)8-4-2-1-3-5-8/h6-8,11H,1-5H2/q+1.
What are the key properties of (1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium?
(1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium has a molecular weight of 220.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-6-oxopyridazin-3-yl)imino-iminoazanium is sourced from PubChem (CID 143705890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).