N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate

C7H12BF4N3 — CID 19788472

IUPACN,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate
SMILESCN(C)c1cccn[n+]1C.F[B-](F)(F)F
InChIInChI=1S/C7H12N3.BF4/c1-9(2)7-5-4-6-8-10(7)3;2-1(3,4)5/h4-6H,1-3H3;/q+1;-1
InChIKeyPOXNWCGDPKYGGW-UHFFFAOYSA-N
MW225.00 g/mol
LogP1.27
Rot. Bonds1

About N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate

N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate (PubChem CID 19788472) has the molecular formula C7H12BF4N3 and a molecular weight of 225.00 g/mol. Its IUPAC name is N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate.

Molecular Properties

Compound NameN,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate
PubChem CID19788472
Molecular FormulaC7H12BF4N3
Molecular Weight225.00 g/mol
Exact Mass225.11
IUPAC NameN,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate
SMILESCN(C)c1cccn[n+]1C.F[B-](F)(F)F
InChIInChI=1S/C7H12N3.BF4/c1-9(2)7-5-4-6-8-10(7)3;2-1(3,4)5/h4-6H,1-3H3;/q+1;-1
InChIKeyPOXNWCGDPKYGGW-UHFFFAOYSA-N
XLogP1.27
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.00
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate?
The IUPAC name of N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate (CID 19788472) is N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate.
What is the SMILES notation for N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate?
The canonical SMILES for N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate is CN(C)c1cccn[n+]1C.F[B-](F)(F)F.
What is the InChIKey of N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate?
The InChIKey is POXNWCGDPKYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N3.BF4/c1-9(2)7-5-4-6-8-10(7)3;2-1(3,4)5/h4-6H,1-3H3;/q+1;-1.
What are the key properties of N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate?
N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate has a molecular weight of 225.00 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethylpyridazin-2-ium-3-amine tetrafluoroborate is sourced from PubChem (CID 19788472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).