5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine

C8H12FN3 — CID 105434097

IUPAC5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCn1nc(N)c2c1CCC(F)C2
InChIInChI=1S/C8H12FN3/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyZVDFTOBFECHJJV-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.83
Rot. Bonds

About 5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine

5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 105434097) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID105434097
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCn1nc(N)c2c1CCC(F)C2
InChIInChI=1S/C8H12FN3/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyZVDFTOBFECHJJV-UHFFFAOYSA-N
XLogP0.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine (CID 105434097) is 5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine is Cn1nc(N)c2c1CCC(F)C2.
What is the InChIKey of 5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is ZVDFTOBFECHJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h5H,2-4H2,1H3,(H2,10,11).
What are the key properties of 5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine?
5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 169.20 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 105434097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).