1-(furan-2-yl)-3-(1H-indazol-6-yl)urea

C12H10N4O2 — CID 108868544

IUPAC1-(furan-2-yl)-3-(1H-indazol-6-yl)urea
SMILESO=C(Nc1ccc2cn[nH]c2c1)Nc1ccco1
InChIInChI=1S/C12H10N4O2/c17-12(15-11-2-1-5-18-11)14-9-4-3-8-7-13-16-10(8)6-9/h1-7H,(H,13,16)(H2,14,15,17)
InChIKeyXDFZXOVRISBJMO-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.80
Rot. Bonds2

About 1-(furan-2-yl)-3-(1H-indazol-6-yl)urea

1-(furan-2-yl)-3-(1H-indazol-6-yl)urea (PubChem CID 108868544) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(1H-indazol-6-yl)urea
PubChem CID108868544
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name1-(furan-2-yl)-3-(1H-indazol-6-yl)urea
SMILESO=C(Nc1ccc2cn[nH]c2c1)Nc1ccco1
InChIInChI=1S/C12H10N4O2/c17-12(15-11-2-1-5-18-11)14-9-4-3-8-7-13-16-10(8)6-9/h1-7H,(H,13,16)(H2,14,15,17)
InChIKeyXDFZXOVRISBJMO-UHFFFAOYSA-N
XLogP2.80
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-(furan-2-yl)-3-(1H-indazol-6-yl)urea (CID 108868544) is 1-(furan-2-yl)-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-(furan-2-yl)-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-(furan-2-yl)-3-(1H-indazol-6-yl)urea is O=C(Nc1ccc2cn[nH]c2c1)Nc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(1H-indazol-6-yl)urea?
The InChIKey is XDFZXOVRISBJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c17-12(15-11-2-1-5-18-11)14-9-4-3-8-7-13-16-10(8)6-9/h1-7H,(H,13,16)(H2,14,15,17).
What are the key properties of 1-(furan-2-yl)-3-(1H-indazol-6-yl)urea?
1-(furan-2-yl)-3-(1H-indazol-6-yl)urea has a molecular weight of 242.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108868544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).