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

C7H12N3+ — CID 19788473

IUPACN,N,2-trimethylpyridazin-2-ium-3-amine
SMILESCN(C)c1cccn[n+]1C
InChIInChI=1S/C7H12N3/c1-9(2)7-5-4-6-8-10(7)3/h4-6H,1-3H3/q+1
InChIKeyXUKQWGBYNQKMPL-UHFFFAOYSA-N
MW138.19 g/mol
LogP-0.03
Rot. Bonds1

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

N,N,2-trimethylpyridazin-2-ium-3-amine (PubChem CID 19788473) has the molecular formula C7H12N3+ and a molecular weight of 138.19 g/mol. Its IUPAC name is N,N,2-trimethylpyridazin-2-ium-3-amine.

Molecular Properties

Compound NameN,N,2-trimethylpyridazin-2-ium-3-amine
PubChem CID19788473
Molecular FormulaC7H12N3+
Molecular Weight138.19 g/mol
Exact Mass138.10
IUPAC NameN,N,2-trimethylpyridazin-2-ium-3-amine
SMILESCN(C)c1cccn[n+]1C
InChIInChI=1S/C7H12N3/c1-9(2)7-5-4-6-8-10(7)3/h4-6H,1-3H3/q+1
InChIKeyXUKQWGBYNQKMPL-UHFFFAOYSA-N
XLogP-0.03
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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?
The IUPAC name of N,N,2-trimethylpyridazin-2-ium-3-amine (CID 19788473) is N,N,2-trimethylpyridazin-2-ium-3-amine.
What is the SMILES notation for N,N,2-trimethylpyridazin-2-ium-3-amine?
The canonical SMILES for N,N,2-trimethylpyridazin-2-ium-3-amine is CN(C)c1cccn[n+]1C.
What is the InChIKey of N,N,2-trimethylpyridazin-2-ium-3-amine?
The InChIKey is XUKQWGBYNQKMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N3/c1-9(2)7-5-4-6-8-10(7)3/h4-6H,1-3H3/q+1.
What are the key properties of N,N,2-trimethylpyridazin-2-ium-3-amine?
N,N,2-trimethylpyridazin-2-ium-3-amine has a molecular weight of 138.19 g/mol, XLogP of -0.03, 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 is sourced from PubChem (CID 19788473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).