1-(1-acetylindazol-4-yl)-3-methylurea

C11H12N4O2 — CID 58870018

IUPAC1-(1-acetylindazol-4-yl)-3-methylurea
SMILESCNC(=O)Nc1cccc2c1cnn2C(C)=O
InChIInChI=1S/C11H12N4O2/c1-7(16)15-10-5-3-4-9(8(10)6-13-15)14-11(17)12-2/h3-6H,1-2H3,(H2,12,14,17)
InChIKeyXFSDUFMFDHTUGU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.45
Rot. Bonds1

About 1-(1-acetylindazol-4-yl)-3-methylurea

1-(1-acetylindazol-4-yl)-3-methylurea (PubChem CID 58870018) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(1-acetylindazol-4-yl)-3-methylurea.

Molecular Properties

Compound Name1-(1-acetylindazol-4-yl)-3-methylurea
PubChem CID58870018
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(1-acetylindazol-4-yl)-3-methylurea
SMILESCNC(=O)Nc1cccc2c1cnn2C(C)=O
InChIInChI=1S/C11H12N4O2/c1-7(16)15-10-5-3-4-9(8(10)6-13-15)14-11(17)12-2/h3-6H,1-2H3,(H2,12,14,17)
InChIKeyXFSDUFMFDHTUGU-UHFFFAOYSA-N
XLogP1.45
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylindazol-4-yl)-3-methylurea?
The IUPAC name of 1-(1-acetylindazol-4-yl)-3-methylurea (CID 58870018) is 1-(1-acetylindazol-4-yl)-3-methylurea.
What is the SMILES notation for 1-(1-acetylindazol-4-yl)-3-methylurea?
The canonical SMILES for 1-(1-acetylindazol-4-yl)-3-methylurea is CNC(=O)Nc1cccc2c1cnn2C(C)=O.
What is the InChIKey of 1-(1-acetylindazol-4-yl)-3-methylurea?
The InChIKey is XFSDUFMFDHTUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7(16)15-10-5-3-4-9(8(10)6-13-15)14-11(17)12-2/h3-6H,1-2H3,(H2,12,14,17).
What are the key properties of 1-(1-acetylindazol-4-yl)-3-methylurea?
1-(1-acetylindazol-4-yl)-3-methylurea has a molecular weight of 232.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylindazol-4-yl)-3-methylurea is sourced from PubChem (CID 58870018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).