4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide

C19H19N7O — CID 59175265

IUPAC4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3nc(-n4cncn4)ccc3n2)cc1
InChIInChI=1S/C19H19N7O/c1-19(2,3)14-6-4-13(5-7-14)18(27)23-15-10-25-16(22-15)8-9-17(24-25)26-12-20-11-21-26/h4-12H,1-3H3,(H,23,27)
InChIKeyZRZXHHYYBWQAJD-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.86
Rot. Bonds3

About 4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide

4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 59175265) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide
PubChem CID59175265
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cn3nc(-n4cncn4)ccc3n2)cc1
InChIInChI=1S/C19H19N7O/c1-19(2,3)14-6-4-13(5-7-14)18(27)23-15-10-25-16(22-15)8-9-17(24-25)26-12-20-11-21-26/h4-12H,1-3H3,(H,23,27)
InChIKeyZRZXHHYYBWQAJD-UHFFFAOYSA-N
XLogP2.86
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 59175265) is 4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cn3nc(-n4cncn4)ccc3n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide?
The InChIKey is ZRZXHHYYBWQAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-19(2,3)14-6-4-13(5-7-14)18(27)23-15-10-25-16(22-15)8-9-17(24-25)26-12-20-11-21-26/h4-12H,1-3H3,(H,23,27).
What are the key properties of 4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide?
4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 361.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-(1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 59175265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).