2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol

C16H17N3O — CID 134960773

IUPAC2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol
SMILESCC(C)C(O)c1nc2cccnn2c1-c1ccccc1
InChIInChI=1S/C16H17N3O/c1-11(2)16(20)14-15(12-7-4-3-5-8-12)19-13(18-14)9-6-10-17-19/h3-11,16,20H,1-2H3
InChIKeyLDABUGHQCRWZDW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.09
Rot. Bonds3

About 2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol

2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol (PubChem CID 134960773) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol
PubChem CID134960773
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol
SMILESCC(C)C(O)c1nc2cccnn2c1-c1ccccc1
InChIInChI=1S/C16H17N3O/c1-11(2)16(20)14-15(12-7-4-3-5-8-12)19-13(18-14)9-6-10-17-19/h3-11,16,20H,1-2H3
InChIKeyLDABUGHQCRWZDW-UHFFFAOYSA-N
XLogP3.09
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol (CID 134960773) is 2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol is CC(C)C(O)c1nc2cccnn2c1-c1ccccc1.
What is the InChIKey of 2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol?
The InChIKey is LDABUGHQCRWZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11(2)16(20)14-15(12-7-4-3-5-8-12)19-13(18-14)9-6-10-17-19/h3-11,16,20H,1-2H3.
What are the key properties of 2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol?
2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol is sourced from PubChem (CID 134960773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).