6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole

C13H12N4O — CID 155949116

IUPAC6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole
SMILESCCc1cc(Oc2ccc3cn[nH]c3c2)ncn1
InChIInChI=1S/C13H12N4O/c1-2-10-5-13(15-8-14-10)18-11-4-3-9-7-16-17-12(9)6-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyGQTJRQYAYAPHAL-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.71
Rot. Bonds3

About 6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole

6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole (PubChem CID 155949116) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole.

Molecular Properties

Compound Name6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole
PubChem CID155949116
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole
SMILESCCc1cc(Oc2ccc3cn[nH]c3c2)ncn1
InChIInChI=1S/C13H12N4O/c1-2-10-5-13(15-8-14-10)18-11-4-3-9-7-16-17-12(9)6-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyGQTJRQYAYAPHAL-UHFFFAOYSA-N
XLogP2.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole?
The IUPAC name of 6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole (CID 155949116) is 6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole.
What is the SMILES notation for 6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole?
The canonical SMILES for 6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole is CCc1cc(Oc2ccc3cn[nH]c3c2)ncn1.
What is the InChIKey of 6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole?
The InChIKey is GQTJRQYAYAPHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-10-5-13(15-8-14-10)18-11-4-3-9-7-16-17-12(9)6-11/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole?
6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole has a molecular weight of 240.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole is sourced from PubChem (CID 155949116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).