6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine

C17H21N3O2 — CID 95557362

IUPAC6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine
SMILESCOc1ccccc1-c1ccc(NC[C@]2(C)CCCO2)nn1
InChIInChI=1S/C17H21N3O2/c1-17(10-5-11-22-17)12-18-16-9-8-14(19-20-16)13-6-3-4-7-15(13)21-2/h3-4,6-9H,5,10-12H2,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyLIOUAPZVXGVVSH-KRWDZBQOSA-N
MW299.37 g/mol
LogP3.13
Rot. Bonds5

About 6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine

6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine (PubChem CID 95557362) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine
PubChem CID95557362
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine
SMILESCOc1ccccc1-c1ccc(NC[C@]2(C)CCCO2)nn1
InChIInChI=1S/C17H21N3O2/c1-17(10-5-11-22-17)12-18-16-9-8-14(19-20-16)13-6-3-4-7-15(13)21-2/h3-4,6-9H,5,10-12H2,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyLIOUAPZVXGVVSH-KRWDZBQOSA-N
XLogP3.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine (CID 95557362) is 6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine is COc1ccccc1-c1ccc(NC[C@]2(C)CCCO2)nn1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine?
The InChIKey is LIOUAPZVXGVVSH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(10-5-11-22-17)12-18-16-9-8-14(19-20-16)13-6-3-4-7-15(13)21-2/h3-4,6-9H,5,10-12H2,1-2H3,(H,18,20)/t17-/m0/s1.
What are the key properties of 6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine?
6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine has a molecular weight of 299.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[[(2S)-2-methyloxolan-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 95557362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).