N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine

C15H17N3O — CID 62297853

IUPACN-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCc1cccc(Oc2ccc(CNC3CC3)nn2)c1
InChIInChI=1S/C15H17N3O/c1-11-3-2-4-14(9-11)19-15-8-7-13(17-18-15)10-16-12-5-6-12/h2-4,7-9,12,16H,5-6,10H2,1H3
InChIKeyKADGQQSUXPULOV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.83
Rot. Bonds5

About N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine

N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 62297853) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID62297853
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCc1cccc(Oc2ccc(CNC3CC3)nn2)c1
InChIInChI=1S/C15H17N3O/c1-11-3-2-4-14(9-11)19-15-8-7-13(17-18-15)10-16-12-5-6-12/h2-4,7-9,12,16H,5-6,10H2,1H3
InChIKeyKADGQQSUXPULOV-UHFFFAOYSA-N
XLogP2.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62336369
N-[[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 107725866
N-[[6-(4-chloro-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62322068
N-[[6-(4-methoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62323240
N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297563
3-(chloromethyl)-6-(3-methylphenoxy)pyridazine
CID 61267321
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 63647201
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62321870
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283118

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine (CID 62297853) is N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine is Cc1cccc(Oc2ccc(CNC3CC3)nn2)c1.
What is the InChIKey of N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is KADGQQSUXPULOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-3-2-4-14(9-11)19-15-8-7-13(17-18-15)10-16-12-5-6-12/h2-4,7-9,12,16H,5-6,10H2,1H3.
What are the key properties of N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 255.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62297853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).