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

C8H12ClN3O — CID 65109016

IUPAC1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3O/c1-8(2,13)5-10-7-4-3-6(9)11-12-7/h3-4,13H,5H2,1-2H3,(H,10,12)
InChIKeyUZQUMRBMMDIAMV-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.31
Rot. Bonds3

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

1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol (PubChem CID 65109016) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol
PubChem CID65109016
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3O/c1-8(2,13)5-10-7-4-3-6(9)11-12-7/h3-4,13H,5H2,1-2H3,(H,10,12)
InChIKeyUZQUMRBMMDIAMV-UHFFFAOYSA-N
XLogP1.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol (CID 65109016) is 1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CNc1ccc(Cl)nn1.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol?
The InChIKey is UZQUMRBMMDIAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-8(2,13)5-10-7-4-3-6(9)11-12-7/h3-4,13H,5H2,1-2H3,(H,10,12).
What are the key properties of 1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol?
1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol has a molecular weight of 201.66 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 65109016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).