1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol

C9H14ClN3O — CID 79390151

IUPAC1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3O/c1-9(2,14)6-13(3)8-5-4-7(10)11-12-8/h4-5,14H,6H2,1-3H3
InChIKeySHWDOKLZMLJKKB-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.34
Rot. Bonds3

About 1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol

1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 79390151) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID79390151
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3O/c1-9(2,14)6-13(3)8-5-4-7(10)11-12-8/h4-5,14H,6H2,1-3H3
InChIKeySHWDOKLZMLJKKB-UHFFFAOYSA-N
XLogP1.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol (CID 79390151) is 1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1ccc(Cl)nn1.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is SHWDOKLZMLJKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-9(2,14)6-13(3)8-5-4-7(10)11-12-8/h4-5,14H,6H2,1-3H3.
What are the key properties of 1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol?
1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).