6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid

C12H14N4O2 — CID 69111044

IUPAC6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid
SMILESCC1(c2ccc3c(C(=O)O)n[nH]c3c2)NCCN1
InChIInChI=1S/C12H14N4O2/c1-12(13-4-5-14-12)7-2-3-8-9(6-7)15-16-10(8)11(17)18/h2-3,6,13-14H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyWBAKGSWPDZWRJY-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.63
Rot. Bonds2

About 6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid

6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid (PubChem CID 69111044) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid
PubChem CID69111044
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid
SMILESCC1(c2ccc3c(C(=O)O)n[nH]c3c2)NCCN1
InChIInChI=1S/C12H14N4O2/c1-12(13-4-5-14-12)7-2-3-8-9(6-7)15-16-10(8)11(17)18/h2-3,6,13-14H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyWBAKGSWPDZWRJY-UHFFFAOYSA-N
XLogP0.63
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid?
The IUPAC name of 6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid (CID 69111044) is 6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid?
The canonical SMILES for 6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid is CC1(c2ccc3c(C(=O)O)n[nH]c3c2)NCCN1.
What is the InChIKey of 6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid?
The InChIKey is WBAKGSWPDZWRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-12(13-4-5-14-12)7-2-3-8-9(6-7)15-16-10(8)11(17)18/h2-3,6,13-14H,4-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid?
6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazolidin-2-yl)-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 69111044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).