N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine

C15H19N3O — CID 82483041

IUPACN-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine
SMILESCNc1ccc(-c2ccc(OC(C)(C)C)cc2)nn1
InChIInChI=1S/C15H19N3O/c1-15(2,3)19-12-7-5-11(6-8-12)13-9-10-14(16-4)18-17-13/h5-10H,1-4H3,(H,16,18)
InChIKeyVCZMLDWTZSMQFE-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.36
Rot. Bonds3

About N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine

N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine (PubChem CID 82483041) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine
PubChem CID82483041
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine
SMILESCNc1ccc(-c2ccc(OC(C)(C)C)cc2)nn1
InChIInChI=1S/C15H19N3O/c1-15(2,3)19-12-7-5-11(6-8-12)13-9-10-14(16-4)18-17-13/h5-10H,1-4H3,(H,16,18)
InChIKeyVCZMLDWTZSMQFE-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine?
The IUPAC name of N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine (CID 82483041) is N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine?
The canonical SMILES for N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine is CNc1ccc(-c2ccc(OC(C)(C)C)cc2)nn1.
What is the InChIKey of N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine?
The InChIKey is VCZMLDWTZSMQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)19-12-7-5-11(6-8-12)13-9-10-14(16-4)18-17-13/h5-10H,1-4H3,(H,16,18).
What are the key properties of N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine?
N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazin-3-amine is sourced from PubChem (CID 82483041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).