3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide

C17H13N5O2 — CID 126700170

IUPAC3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2cccnn2c1-c1ccc2ocnc2c1
InChIInChI=1S/C17H13N5O2/c23-17(20-11-4-5-11)15-16(22-14(21-15)2-1-7-19-22)10-3-6-13-12(8-10)18-9-24-13/h1-3,6-9,11H,4-5H2,(H,20,23)
InChIKeyWBVHJGBFCGWOMH-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.43
Rot. Bonds3

About 3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide

3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 126700170) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID126700170
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2cccnn2c1-c1ccc2ocnc2c1
InChIInChI=1S/C17H13N5O2/c23-17(20-11-4-5-11)15-16(22-14(21-15)2-1-7-19-22)10-3-6-13-12(8-10)18-9-24-13/h1-3,6-9,11H,4-5H2,(H,20,23)
InChIKeyWBVHJGBFCGWOMH-UHFFFAOYSA-N
XLogP2.43
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide (CID 126700170) is 3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide is O=C(NC1CC1)c1nc2cccnn2c1-c1ccc2ocnc2c1.
What is the InChIKey of 3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is WBVHJGBFCGWOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c23-17(20-11-4-5-11)15-16(22-14(21-15)2-1-7-19-22)10-3-6-13-12(8-10)18-9-24-13/h1-3,6-9,11H,4-5H2,(H,20,23).
What are the key properties of 3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-5-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 126700170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).