5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine

C10H18N3+ — CID 163923916

IUPAC5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine
SMILESNC1=CC(C2CCCCC2)=CN[NH2+]1
InChIInChI=1S/C10H17N3/c11-10-6-9(7-12-13-10)8-4-2-1-3-5-8/h6-8,12-13H,1-5,11H2/p+1
InChIKeyRCUWQSRFVGGTDA-UHFFFAOYSA-O
MW180.28 g/mol
LogP0.33
Rot. Bonds1

About 5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine

5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine (PubChem CID 163923916) has the molecular formula C10H18N3+ and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine.

Molecular Properties

Compound Name5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine
PubChem CID163923916
Molecular FormulaC10H18N3+
Molecular Weight180.28 g/mol
Exact Mass180.15
IUPAC Name5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine
SMILESNC1=CC(C2CCCCC2)=CN[NH2+]1
InChIInChI=1S/C10H17N3/c11-10-6-9(7-12-13-10)8-4-2-1-3-5-8/h6-8,12-13H,1-5,11H2/p+1
InChIKeyRCUWQSRFVGGTDA-UHFFFAOYSA-O
XLogP0.33
TPSA54.66 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine?
The IUPAC name of 5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine (CID 163923916) is 5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine.
What is the SMILES notation for 5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine?
The canonical SMILES for 5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine is NC1=CC(C2CCCCC2)=CN[NH2+]1.
What is the InChIKey of 5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine?
The InChIKey is RCUWQSRFVGGTDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N3/c11-10-6-9(7-12-13-10)8-4-2-1-3-5-8/h6-8,12-13H,1-5,11H2/p+1.
What are the key properties of 5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine?
5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine has a molecular weight of 180.28 g/mol, XLogP of 0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,2-dihydropyridazin-2-ium-3-amine is sourced from PubChem (CID 163923916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).