5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine

C9H18N3+ — CID 144666360

IUPAC5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine
SMILESCCC(CC)C1=CN[NH2+]C(N)=C1
InChIInChI=1S/C9H17N3/c1-3-7(4-2)8-5-9(10)12-11-6-8/h5-7,11-12H,3-4,10H2,1-2H3/p+1
InChIKeyKSCJXHGPZUQQFJ-UHFFFAOYSA-O
MW168.26 g/mol
LogP0.19
Rot. Bonds3

About 5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine

5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine (PubChem CID 144666360) has the molecular formula C9H18N3+ and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine.

Molecular Properties

Compound Name5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine
PubChem CID144666360
Molecular FormulaC9H18N3+
Molecular Weight168.26 g/mol
Exact Mass168.15
IUPAC Name5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine
SMILESCCC(CC)C1=CN[NH2+]C(N)=C1
InChIInChI=1S/C9H17N3/c1-3-7(4-2)8-5-9(10)12-11-6-8/h5-7,11-12H,3-4,10H2,1-2H3/p+1
InChIKeyKSCJXHGPZUQQFJ-UHFFFAOYSA-O
XLogP0.19
TPSA54.66 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 50.19
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-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine?
The IUPAC name of 5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine (CID 144666360) is 5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine.
What is the SMILES notation for 5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine?
The canonical SMILES for 5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine is CCC(CC)C1=CN[NH2+]C(N)=C1.
What is the InChIKey of 5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine?
The InChIKey is KSCJXHGPZUQQFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17N3/c1-3-7(4-2)8-5-9(10)12-11-6-8/h5-7,11-12H,3-4,10H2,1-2H3/p+1.
What are the key properties of 5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine?
5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine has a molecular weight of 168.26 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-1,2-dihydropyridazin-2-ium-3-amine is sourced from PubChem (CID 144666360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).