N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide

C14H14N6O2 — CID 129356285

IUPACN-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccoc1
InChIInChI=1S/C14H14N6O2/c21-14(10-4-6-22-8-10)16-11-3-5-19(7-11)13-2-1-12-17-15-9-20(12)18-13/h1-2,4,6,8-9,11H,3,5,7H2,(H,16,21)/t11-/m1/s1
InChIKeyCQRCBUZOAFQQEU-LLVKDONJSA-N
MW298.31 g/mol
LogP0.73
Rot. Bonds3

About N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide

N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide (PubChem CID 129356285) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide
PubChem CID129356285
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC NameN-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccoc1
InChIInChI=1S/C14H14N6O2/c21-14(10-4-6-22-8-10)16-11-3-5-19(7-11)13-2-1-12-17-15-9-20(12)18-13/h1-2,4,6,8-9,11H,3,5,7H2,(H,16,21)/t11-/m1/s1
InChIKeyCQRCBUZOAFQQEU-LLVKDONJSA-N
XLogP0.73
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide (CID 129356285) is N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide is O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccoc1.
What is the InChIKey of N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide?
The InChIKey is CQRCBUZOAFQQEU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N6O2/c21-14(10-4-6-22-8-10)16-11-3-5-19(7-11)13-2-1-12-17-15-9-20(12)18-13/h1-2,4,6,8-9,11H,3,5,7H2,(H,16,21)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide?
N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 129356285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).