3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

C15H16N4O — CID 57418692

IUPAC3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCCCNc1ccc2ncc(-c3cccc(O)c3)n2n1
InChIInChI=1S/C15H16N4O/c1-2-8-16-14-6-7-15-17-10-13(19(15)18-14)11-4-3-5-12(20)9-11/h3-7,9-10,20H,2,8H2,1H3,(H,16,18)
InChIKeyBBRVCZSXNXYZKS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.92
Rot. Bonds4

About 3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 57418692) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID57418692
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCCCNc1ccc2ncc(-c3cccc(O)c3)n2n1
InChIInChI=1S/C15H16N4O/c1-2-8-16-14-6-7-15-17-10-13(19(15)18-14)11-4-3-5-12(20)9-11/h3-7,9-10,20H,2,8H2,1H3,(H,16,18)
InChIKeyBBRVCZSXNXYZKS-UHFFFAOYSA-N
XLogP2.92
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (CID 57418692) is 3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is CCCNc1ccc2ncc(-c3cccc(O)c3)n2n1.
What is the InChIKey of 3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is BBRVCZSXNXYZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-8-16-14-6-7-15-17-10-13(19(15)18-14)11-4-3-5-12(20)9-11/h3-7,9-10,20H,2,8H2,1H3,(H,16,18).
What are the key properties of 3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 268.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 57418692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).