4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid

C8H11N3O2 — CID 83906475

IUPAC4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCCc2[nH]ncc21
InChIInChI=1S/C8H11N3O2/c9-8(7(12)13)3-1-2-6-5(8)4-10-11-6/h4H,1-3,9H2,(H,10,11)(H,12,13)
InChIKeyCVCKMXIKFITPBU-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.02
Rot. Bonds1

About 4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid

4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83906475) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83906475
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCCc2[nH]ncc21
InChIInChI=1S/C8H11N3O2/c9-8(7(12)13)3-1-2-6-5(8)4-10-11-6/h4H,1-3,9H2,(H,10,11)(H,12,13)
InChIKeyCVCKMXIKFITPBU-UHFFFAOYSA-N
XLogP-0.02
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83906475) is 4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid is NC1(C(=O)O)CCCc2[nH]ncc21.
What is the InChIKey of 4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is CVCKMXIKFITPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-8(7(12)13)3-1-2-6-5(8)4-10-11-6/h4H,1-3,9H2,(H,10,11)(H,12,13).
What are the key properties of 4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83906475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).