6-methylpyridazin-2-ium-3-amine

C5H8N3+ — CID 19831896

IUPAC6-methylpyridazin-2-ium-3-amine
SMILESCc1ccc(N)[nH+]n1
InChIInChI=1S/C5H7N3/c1-4-2-3-5(6)8-7-4/h2-3H,1H3,(H2,6,8)/p+1
InChIKeyKAZMCIGKULUUMR-UHFFFAOYSA-O
MW110.14 g/mol
LogP-0.21
Rot. Bonds

About 6-methylpyridazin-2-ium-3-amine

6-methylpyridazin-2-ium-3-amine (PubChem CID 19831896) has the molecular formula C5H8N3+ and a molecular weight of 110.14 g/mol. Its IUPAC name is 6-methylpyridazin-2-ium-3-amine.

Molecular Properties

Compound Name6-methylpyridazin-2-ium-3-amine
PubChem CID19831896
Molecular FormulaC5H8N3+
Molecular Weight110.14 g/mol
Exact Mass110.07
IUPAC Name6-methylpyridazin-2-ium-3-amine
SMILESCc1ccc(N)[nH+]n1
InChIInChI=1S/C5H7N3/c1-4-2-3-5(6)8-7-4/h2-3H,1H3,(H2,6,8)/p+1
InChIKeyKAZMCIGKULUUMR-UHFFFAOYSA-O
XLogP-0.21
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyridazin-2-ium-3-amine?
The IUPAC name of 6-methylpyridazin-2-ium-3-amine (CID 19831896) is 6-methylpyridazin-2-ium-3-amine.
What is the SMILES notation for 6-methylpyridazin-2-ium-3-amine?
The canonical SMILES for 6-methylpyridazin-2-ium-3-amine is Cc1ccc(N)[nH+]n1.
What is the InChIKey of 6-methylpyridazin-2-ium-3-amine?
The InChIKey is KAZMCIGKULUUMR-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N3/c1-4-2-3-5(6)8-7-4/h2-3H,1H3,(H2,6,8)/p+1.
What are the key properties of 6-methylpyridazin-2-ium-3-amine?
6-methylpyridazin-2-ium-3-amine has a molecular weight of 110.14 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridazin-2-ium-3-amine is sourced from PubChem (CID 19831896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).