N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

C9H12F3N3 — CID 130014986

IUPACN-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCNC1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C9H12F3N3/c1-13-5-2-3-7-6(4-5)8(15-14-7)9(10,11)12/h5,13H,2-4H2,1H3,(H,14,15)
InChIKeyCZCGFPWAAHQLRF-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.51
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 130014986) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID130014986
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCNC1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C9H12F3N3/c1-13-5-2-3-7-6(4-5)8(15-14-7)9(10,11)12/h5,13H,2-4H2,1H3,(H,14,15)
InChIKeyCZCGFPWAAHQLRF-UHFFFAOYSA-N
XLogP1.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 130014986) is N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine is CNC1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is CZCGFPWAAHQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-13-5-2-3-7-6(4-5)8(15-14-7)9(10,11)12/h5,13H,2-4H2,1H3,(H,14,15).
What are the key properties of N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 219.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 130014986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).