cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone

C19H18N6O — CID 59233066

IUPACcyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone
SMILESCC(C)(c1ccc2nc(C(=O)C3CC3)cn2n1)c1nnc2ccccn12
InChIInChI=1S/C19H18N6O/c1-19(2,18-22-21-16-5-3-4-10-24(16)18)14-8-9-15-20-13(11-25(15)23-14)17(26)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3
InChIKeyCJEFFUJTUXXIKG-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.69
Rot. Bonds4

About cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone

cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone (PubChem CID 59233066) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone
PubChem CID59233066
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Namecyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone
SMILESCC(C)(c1ccc2nc(C(=O)C3CC3)cn2n1)c1nnc2ccccn12
InChIInChI=1S/C19H18N6O/c1-19(2,18-22-21-16-5-3-4-10-24(16)18)14-8-9-15-20-13(11-25(15)23-14)17(26)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3
InChIKeyCJEFFUJTUXXIKG-UHFFFAOYSA-N
XLogP2.69
TPSA77.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone?
The IUPAC name of cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone (CID 59233066) is cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone?
The canonical SMILES for cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone is CC(C)(c1ccc2nc(C(=O)C3CC3)cn2n1)c1nnc2ccccn12.
What is the InChIKey of cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone?
The InChIKey is CJEFFUJTUXXIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-19(2,18-22-21-16-5-3-4-10-24(16)18)14-8-9-15-20-13(11-25(15)23-14)17(26)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3.
What are the key properties of cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone?
cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-yl]imidazo[1,2-b]pyridazin-2-yl]methanone is sourced from PubChem (CID 59233066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).