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

C9H13N3O2 — CID 112715357

IUPAC7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid
SMILESCC1CCc2cn[nH]c2C1(N)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-5-2-3-6-4-11-12-7(6)9(5,10)8(13)14/h4-5H,2-3,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyKXIHXSVNMGXVJR-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.23
Rot. Bonds1

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

7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid (PubChem CID 112715357) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid.

Molecular Properties

Compound Name7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid
PubChem CID112715357
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid
SMILESCC1CCc2cn[nH]c2C1(N)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-5-2-3-6-4-11-12-7(6)9(5,10)8(13)14/h4-5H,2-3,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyKXIHXSVNMGXVJR-UHFFFAOYSA-N
XLogP0.23
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 68504449
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71607210
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
methyl 4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CID 71756054
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetic acid
CID 82409068
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
methyl 4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 117274044
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid hydrochloride
CID 132353812
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid hydrochloride
CID 155822215
(S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 86330465
(R)-4,5,6,7-Tetrahydro-1H-indazole-5-carboxylic acid
CID 86330467
6-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 141722726

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The IUPAC name of 7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid (CID 112715357) is 7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid.
What is the SMILES notation for 7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The canonical SMILES for 7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid is CC1CCc2cn[nH]c2C1(N)C(=O)O.
What is the InChIKey of 7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The InChIKey is KXIHXSVNMGXVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-2-3-6-4-11-12-7(6)9(5,10)8(13)14/h4-5H,2-3,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid is sourced from PubChem (CID 112715357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).