2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium

C9H15N2+ — CID 91411242

IUPAC2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium
SMILESC=[N+]1N=CC=CC1CC(C)C
InChIInChI=1S/C9H15N2/c1-8(2)7-9-5-4-6-10-11(9)3/h4-6,8-9H,3,7H2,1-2H3/q+1
InChIKeyRKXHZYYHVLIFKK-UHFFFAOYSA-N
MW151.23 g/mol
LogP1.67
Rot. Bonds2

About 2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium

2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium (PubChem CID 91411242) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium.

Molecular Properties

Compound Name2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium
PubChem CID91411242
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium
SMILESC=[N+]1N=CC=CC1CC(C)C
InChIInChI=1S/C9H15N2/c1-8(2)7-9-5-4-6-10-11(9)3/h4-6,8-9H,3,7H2,1-2H3/q+1
InChIKeyRKXHZYYHVLIFKK-UHFFFAOYSA-N
XLogP1.67
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-4aH-pyrrolo[1,2-b]pyridazin-8-ium
CID 58332173
4-propan-2-yl-4aH-pyrrolo[2,1-f][1,2,4]triazin-8-ium
CID 58332190
2-Propan-2-yl-2,3-dihydropyridine
CID 91526421
3-Methyl-2-propan-2-yl-2,3-dihydropyridine
CID 123260541
2-Ethyl-3-methyl-2,3-dihydropyridine
CID 129215850
3-Ethenyl-2-prop-1-en-2-yl-2,3-dihydropyridine
CID 142113905
4-propan-2-yl-4aH-pyrrolo[1,2-c]triazin-8-ium
CID 164758096
3-propan-2-yl-4aH-pyrrolo[1,2-b]pyridazin-8-ium
CID 166028669
5,6-ditert-butyl-4aH-pyrrolo[1,2-b]pyridazin-8-ium
CID 167350353
2-ethyl-3-propan-2-yl-3H-pyridazine
CID 168925809
2-methyl-3-propan-2-yl-3H-pyridazine
CID 169884494
3-Methyl-2-propyl-2,3-dihydropyridine
CID 142164152

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium?
The IUPAC name of 2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium (CID 91411242) is 2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium.
What is the SMILES notation for 2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium?
The canonical SMILES for 2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium is C=[N+]1N=CC=CC1CC(C)C.
What is the InChIKey of 2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium?
The InChIKey is RKXHZYYHVLIFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2/c1-8(2)7-9-5-4-6-10-11(9)3/h4-6,8-9H,3,7H2,1-2H3/q+1.
What are the key properties of 2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium?
2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium has a molecular weight of 151.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-(2-methylpropyl)-3H-pyridazin-2-ium is sourced from PubChem (CID 91411242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).