2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid

C9H12N2O2 — CID 82409116

IUPAC2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
SMILESO=C(O)CC1CCCc2[nH]ncc21
InChIInChI=1S/C9H12N2O2/c12-9(13)4-6-2-1-3-8-7(6)5-10-11-8/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyOYHFMTTUONJNLP-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.30
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid

2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid (PubChem CID 82409116) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
PubChem CID82409116
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
SMILESO=C(O)CC1CCCc2[nH]ncc21
InChIInChI=1S/C9H12N2O2/c12-9(13)4-6-2-1-3-8-7(6)5-10-11-8/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyOYHFMTTUONJNLP-UHFFFAOYSA-N
XLogP1.30
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid (CID 82409116) is 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid is O=C(O)CC1CCCc2[nH]ncc21.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid?
The InChIKey is OYHFMTTUONJNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(13)4-6-2-1-3-8-7(6)5-10-11-8/h5-6H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid?
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid has a molecular weight of 180.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid is sourced from PubChem (CID 82409116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).