2-(4-methylphenyl)-2-pyridazin-3-ylethanamine

C13H15N3 — CID 116833543

IUPAC2-(4-methylphenyl)-2-pyridazin-3-ylethanamine
SMILESCc1ccc(C(CN)c2cccnn2)cc1
InChIInChI=1S/C13H15N3/c1-10-4-6-11(7-5-10)12(9-14)13-3-2-8-15-16-13/h2-8,12H,9,14H2,1H3
InChIKeyCUOICSAYVJYVOW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.88
Rot. Bonds3

About 2-(4-methylphenyl)-2-pyridazin-3-ylethanamine

2-(4-methylphenyl)-2-pyridazin-3-ylethanamine (PubChem CID 116833543) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-pyridazin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-pyridazin-3-ylethanamine
PubChem CID116833543
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(4-methylphenyl)-2-pyridazin-3-ylethanamine
SMILESCc1ccc(C(CN)c2cccnn2)cc1
InChIInChI=1S/C13H15N3/c1-10-4-6-11(7-5-10)12(9-14)13-3-2-8-15-16-13/h2-8,12H,9,14H2,1H3
InChIKeyCUOICSAYVJYVOW-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-pyridazin-3-ylethanamine?
The IUPAC name of 2-(4-methylphenyl)-2-pyridazin-3-ylethanamine (CID 116833543) is 2-(4-methylphenyl)-2-pyridazin-3-ylethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-2-pyridazin-3-ylethanamine?
The canonical SMILES for 2-(4-methylphenyl)-2-pyridazin-3-ylethanamine is Cc1ccc(C(CN)c2cccnn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-pyridazin-3-ylethanamine?
The InChIKey is CUOICSAYVJYVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-4-6-11(7-5-10)12(9-14)13-3-2-8-15-16-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-pyridazin-3-ylethanamine?
2-(4-methylphenyl)-2-pyridazin-3-ylethanamine has a molecular weight of 213.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-pyridazin-3-ylethanamine is sourced from PubChem (CID 116833543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).