[3-(trifluoromethyl)-2H-indazol-4-yl]methanamine

C9H8F3N3 — CID 105468291

IUPAC[3-(trifluoromethyl)-2H-indazol-4-yl]methanamine
SMILESNCc1cccc2n[nH]c(C(F)(F)F)c12
InChIInChI=1S/C9H8F3N3/c10-9(11,12)8-7-5(4-13)2-1-3-6(7)14-15-8/h1-3H,4,13H2,(H,14,15)
InChIKeyFSAHZHYWSVMUGT-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.04
Rot. Bonds1

About [3-(trifluoromethyl)-2H-indazol-4-yl]methanamine

[3-(trifluoromethyl)-2H-indazol-4-yl]methanamine (PubChem CID 105468291) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is [3-(trifluoromethyl)-2H-indazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-2H-indazol-4-yl]methanamine
PubChem CID105468291
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name[3-(trifluoromethyl)-2H-indazol-4-yl]methanamine
SMILESNCc1cccc2n[nH]c(C(F)(F)F)c12
InChIInChI=1S/C9H8F3N3/c10-9(11,12)8-7-5(4-13)2-1-3-6(7)14-15-8/h1-3H,4,13H2,(H,14,15)
InChIKeyFSAHZHYWSVMUGT-UHFFFAOYSA-N
XLogP2.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-2H-indazol-4-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-2H-indazol-4-yl]methanamine (CID 105468291) is [3-(trifluoromethyl)-2H-indazol-4-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-2H-indazol-4-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-2H-indazol-4-yl]methanamine is NCc1cccc2n[nH]c(C(F)(F)F)c12.
What is the InChIKey of [3-(trifluoromethyl)-2H-indazol-4-yl]methanamine?
The InChIKey is FSAHZHYWSVMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c10-9(11,12)8-7-5(4-13)2-1-3-6(7)14-15-8/h1-3H,4,13H2,(H,14,15).
What are the key properties of [3-(trifluoromethyl)-2H-indazol-4-yl]methanamine?
[3-(trifluoromethyl)-2H-indazol-4-yl]methanamine has a molecular weight of 215.18 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-2H-indazol-4-yl]methanamine is sourced from PubChem (CID 105468291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).