N-benzyl-6-ethoxypyridazin-3-amine

C13H15N3O — CID 159350779

IUPACN-benzyl-6-ethoxypyridazin-3-amine
SMILESCCOc1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C13H15N3O/c1-2-17-13-9-8-12(15-16-13)14-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,14,15)
InChIKeyIETOOPBLCLWJSH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.49
Rot. Bonds5

About N-benzyl-6-ethoxypyridazin-3-amine

N-benzyl-6-ethoxypyridazin-3-amine (PubChem CID 159350779) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-benzyl-6-ethoxypyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-6-ethoxypyridazin-3-amine
PubChem CID159350779
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-benzyl-6-ethoxypyridazin-3-amine
SMILESCCOc1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C13H15N3O/c1-2-17-13-9-8-12(15-16-13)14-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,14,15)
InChIKeyIETOOPBLCLWJSH-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
N-benzyl-5-ethylpyridin-2-amine
CID 53404811
N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide
CID 54437426
N-[(4-ethoxyphenyl)methyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
CID 53021969
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
N-benzyl-6-but-2-ynoxypyrimidin-4-amine
CID 22599789
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
CID 82453753
N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine
CID 107233084
6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine
CID 6414439
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
CID 114783188
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-ethoxypyridazin-3-amine?
The IUPAC name of N-benzyl-6-ethoxypyridazin-3-amine (CID 159350779) is N-benzyl-6-ethoxypyridazin-3-amine.
What is the SMILES notation for N-benzyl-6-ethoxypyridazin-3-amine?
The canonical SMILES for N-benzyl-6-ethoxypyridazin-3-amine is CCOc1ccc(NCc2ccccc2)nn1.
What is the InChIKey of N-benzyl-6-ethoxypyridazin-3-amine?
The InChIKey is IETOOPBLCLWJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-17-13-9-8-12(15-16-13)14-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,14,15).
What are the key properties of N-benzyl-6-ethoxypyridazin-3-amine?
N-benzyl-6-ethoxypyridazin-3-amine has a molecular weight of 229.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-ethoxypyridazin-3-amine is sourced from PubChem (CID 159350779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).