1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea

C12H12N6O2 — CID 6538894

IUPAC1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea
SMILESCCNC(=O)Nc1n[nH]c2nnc(-c3ccco3)cc12
InChIInChI=1S/C12H12N6O2/c1-2-13-12(19)14-10-7-6-8(9-4-3-5-20-9)15-17-11(7)18-16-10/h3-6H,2H2,1H3,(H3,13,14,16,17,18,19)
InChIKeyZUDRUSBBDYWIIP-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.75
Rot. Bonds3

About 1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea

1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea (PubChem CID 6538894) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea
PubChem CID6538894
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea
SMILESCCNC(=O)Nc1n[nH]c2nnc(-c3ccco3)cc12
InChIInChI=1S/C12H12N6O2/c1-2-13-12(19)14-10-7-6-8(9-4-3-5-20-9)15-17-11(7)18-16-10/h3-6H,2H2,1H3,(H3,13,14,16,17,18,19)
InChIKeyZUDRUSBBDYWIIP-UHFFFAOYSA-N
XLogP1.75
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea (CID 6538894) is 1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea is CCNC(=O)Nc1n[nH]c2nnc(-c3ccco3)cc12.
What is the InChIKey of 1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea?
The InChIKey is ZUDRUSBBDYWIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-2-13-12(19)14-10-7-6-8(9-4-3-5-20-9)15-17-11(7)18-16-10/h3-6H,2H2,1H3,(H3,13,14,16,17,18,19).
What are the key properties of 1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea?
1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea has a molecular weight of 272.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]urea is sourced from PubChem (CID 6538894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).