[6-(4-methylphenyl)pyridazin-3-yl]methanamine

C12H13N3 — CID 82282214

IUPAC[6-(4-methylphenyl)pyridazin-3-yl]methanamine
SMILESCc1ccc(-c2ccc(CN)nn2)cc1
InChIInChI=1S/C12H13N3/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-15-12/h2-7H,8,13H2,1H3
InChIKeyIVENCWHKGMHOKM-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.91
Rot. Bonds2

About [6-(4-methylphenyl)pyridazin-3-yl]methanamine

[6-(4-methylphenyl)pyridazin-3-yl]methanamine (PubChem CID 82282214) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is [6-(4-methylphenyl)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(4-methylphenyl)pyridazin-3-yl]methanamine
PubChem CID82282214
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name[6-(4-methylphenyl)pyridazin-3-yl]methanamine
SMILESCc1ccc(-c2ccc(CN)nn2)cc1
InChIInChI=1S/C12H13N3/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-15-12/h2-7H,8,13H2,1H3
InChIKeyIVENCWHKGMHOKM-UHFFFAOYSA-N
XLogP1.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methylphenyl)pyridazin-3-yl]methanamine?
The IUPAC name of [6-(4-methylphenyl)pyridazin-3-yl]methanamine (CID 82282214) is [6-(4-methylphenyl)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(4-methylphenyl)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(4-methylphenyl)pyridazin-3-yl]methanamine is Cc1ccc(-c2ccc(CN)nn2)cc1.
What is the InChIKey of [6-(4-methylphenyl)pyridazin-3-yl]methanamine?
The InChIKey is IVENCWHKGMHOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-15-12/h2-7H,8,13H2,1H3.
What are the key properties of [6-(4-methylphenyl)pyridazin-3-yl]methanamine?
[6-(4-methylphenyl)pyridazin-3-yl]methanamine has a molecular weight of 199.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylphenyl)pyridazin-3-yl]methanamine is sourced from PubChem (CID 82282214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).