N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine

C13H16N4 — CID 106550314

IUPACN-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NC(C)c2ccccc2N)c1
InChIInChI=1S/C13H16N4/c1-9-7-13(17-15-8-9)16-10(2)11-5-3-4-6-12(11)14/h3-8,10H,14H2,1-2H3,(H,16,17)
InChIKeyBLSLGFOJXMJLSX-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.54
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine

N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine (PubChem CID 106550314) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine
PubChem CID106550314
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NC(C)c2ccccc2N)c1
InChIInChI=1S/C13H16N4/c1-9-7-13(17-15-8-9)16-10(2)11-5-3-4-6-12(11)14/h3-8,10H,14H2,1-2H3,(H,16,17)
InChIKeyBLSLGFOJXMJLSX-UHFFFAOYSA-N
XLogP2.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770295
5-methyl-N-(5-methylhexan-2-yl)pyridazin-3-amine
CID 106549770
N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60869456
4-methyl-2-N-(5-methylpyridazin-3-yl)pentane-1,2-diamine
CID 106550178
N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112676271
2-[1-(2-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62308355
N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine
CID 142938828
N-heptan-2-yl-5-methylpyridazin-3-amine
CID 106549626
5-methyl-2-N-(1-phenylethyl)pyridine-2,4-diamine
CID 83265107
N-(1-ethoxypropan-2-yl)-5-methylpyridazin-3-amine
CID 106549675
3-[(5-methylpyridazin-3-yl)amino]pentan-1-ol
CID 106549992
N-[1-(2-aminophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618764

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine (CID 106550314) is N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine is Cc1cnnc(NC(C)c2ccccc2N)c1.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine?
The InChIKey is BLSLGFOJXMJLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-7-13(17-15-8-9)16-10(2)11-5-3-4-6-12(11)14/h3-8,10H,14H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine?
N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine has a molecular weight of 228.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 106550314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).