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

C8H14N3+ — CID 163714706

IUPAC5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine
SMILESNC1=CC(C2CCC2)=CN[NH2+]1
InChIInChI=1S/C8H13N3/c9-8-4-7(5-10-11-8)6-2-1-3-6/h4-6,10-11H,1-3,9H2/p+1
InChIKeyKMIKNYWVMWVTIO-UHFFFAOYSA-O
MW152.22 g/mol
LogP-0.45
Rot. Bonds1

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

5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine (PubChem CID 163714706) has the molecular formula C8H14N3+ and a molecular weight of 152.22 g/mol. Its IUPAC name is 5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine.

Molecular Properties

Compound Name5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine
PubChem CID163714706
Molecular FormulaC8H14N3+
Molecular Weight152.22 g/mol
Exact Mass152.12
IUPAC Name5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine
SMILESNC1=CC(C2CCC2)=CN[NH2+]1
InChIInChI=1S/C8H13N3/c9-8-4-7(5-10-11-8)6-2-1-3-6/h4-6,10-11H,1-3,9H2/p+1
InChIKeyKMIKNYWVMWVTIO-UHFFFAOYSA-O
XLogP-0.45
TPSA54.66 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-0.45
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-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine?
The IUPAC name of 5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine (CID 163714706) is 5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine.
What is the SMILES notation for 5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine?
The canonical SMILES for 5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine is NC1=CC(C2CCC2)=CN[NH2+]1.
What is the InChIKey of 5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine?
The InChIKey is KMIKNYWVMWVTIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13N3/c9-8-4-7(5-10-11-8)6-2-1-3-6/h4-6,10-11H,1-3,9H2/p+1.
What are the key properties of 5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine?
5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine has a molecular weight of 152.22 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1,2-dihydropyridazin-2-ium-3-amine is sourced from PubChem (CID 163714706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).