N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide

C16H13N7O — CID 118863057

IUPACN-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2cccnn2c1-c1ccc2ncnn2c1
InChIInChI=1S/C16H13N7O/c24-16(20-11-4-5-11)14-15(23-13(21-14)2-1-7-18-23)10-3-6-12-17-9-19-22(12)8-10/h1-3,6-9,11H,4-5H2,(H,20,24)
InChIKeyKZFDLYSKEWBCTB-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.33
Rot. Bonds3

About N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide

N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 118863057) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID118863057
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2cccnn2c1-c1ccc2ncnn2c1
InChIInChI=1S/C16H13N7O/c24-16(20-11-4-5-11)14-15(23-13(21-14)2-1-7-18-23)10-3-6-12-17-9-19-22(12)8-10/h1-3,6-9,11H,4-5H2,(H,20,24)
InChIKeyKZFDLYSKEWBCTB-UHFFFAOYSA-N
XLogP1.33
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide (CID 118863057) is N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide is O=C(NC1CC1)c1nc2cccnn2c1-c1ccc2ncnn2c1.
What is the InChIKey of N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is KZFDLYSKEWBCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c24-16(20-11-4-5-11)14-15(23-13(21-14)2-1-7-18-23)10-3-6-12-17-9-19-22(12)8-10/h1-3,6-9,11H,4-5H2,(H,20,24).
What are the key properties of N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 118863057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).