2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine

C10H14F3N3 — CID 66874630

IUPAC2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine
SMILESNCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-7-3-1-2-4-8(7)16(15-9)6-5-14/h1-6,14H2
InChIKeyFSNKWWZHCIALDN-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.74
Rot. Bonds2

About 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine (PubChem CID 66874630) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine
PubChem CID66874630
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine
SMILESNCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C10H14F3N3/c11-10(12,13)9-7-3-1-2-4-8(7)16(15-9)6-5-14/h1-6,14H2
InChIKeyFSNKWWZHCIALDN-UHFFFAOYSA-N
XLogP1.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine (CID 66874630) is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine is NCCn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine?
The InChIKey is FSNKWWZHCIALDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)9-7-3-1-2-4-8(7)16(15-9)6-5-14/h1-6,14H2.
What are the key properties of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine?
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine has a molecular weight of 233.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine is sourced from PubChem (CID 66874630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).