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

C10H15ClF3N3 — CID 66875517

IUPAC2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride
SMILESCl.NCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C10H14F3N3.ClH/c11-10(12,13)9-7-3-1-2-4-8(7)16(15-9)6-5-14;/h1-6,14H2;1H
InChIKeyLUIJMUAVFXIAHD-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.16
Rot. Bonds2

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

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride (PubChem CID 66875517) has the molecular formula C10H15ClF3N3 and a molecular weight of 269.70 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride
PubChem CID66875517
Molecular FormulaC10H15ClF3N3
Molecular Weight269.70 g/mol
Exact Mass269.09
IUPAC Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride
SMILESCl.NCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C10H14F3N3.ClH/c11-10(12,13)9-7-3-1-2-4-8(7)16(15-9)6-5-14;/h1-6,14H2;1H
InChIKeyLUIJMUAVFXIAHD-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.16
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;hydrochloride?
The IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride (CID 66875517) is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride is Cl.NCCn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride?
The InChIKey is LUIJMUAVFXIAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3.ClH/c11-10(12,13)9-7-3-1-2-4-8(7)16(15-9)6-5-14;/h1-6,14H2;1H.
What are the key properties of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride?
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanamine;hydrochloride has a molecular weight of 269.70 g/mol, XLogP of 2.16, 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;hydrochloride is sourced from PubChem (CID 66875517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).