N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide

C12H13N3O3 — CID 42896858

IUPACN-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H13N3O3/c1-8(7-9-3-2-6-18-9)13-12(17)10-4-5-11(16)15-14-10/h2-6,8H,7H2,1H3,(H,13,17)(H,15,16)
InChIKeyPNAXWKZZDVLJKO-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.72
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 42896858) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID42896858
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H13N3O3/c1-8(7-9-3-2-6-18-9)13-12(17)10-4-5-11(16)15-14-10/h2-6,8H,7H2,1H3,(H,13,17)(H,15,16)
InChIKeyPNAXWKZZDVLJKO-UHFFFAOYSA-N
XLogP0.72
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-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-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 42896858) is N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide is CC(Cc1ccco1)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is PNAXWKZZDVLJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8(7-9-3-2-6-18-9)13-12(17)10-4-5-11(16)15-14-10/h2-6,8H,7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 42896858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).