1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine

C9H12F3N3 — CID 53406962

IUPAC1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCn1nc(C(F)(F)F)c2c1CCC(N)C2
InChIInChI=1S/C9H12F3N3/c1-15-7-3-2-5(13)4-6(7)8(14-15)9(10,11)12/h5H,2-4,13H2,1H3
InChIKeyODCAGFKLIAWDMV-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.25
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine

1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine (PubChem CID 53406962) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine
PubChem CID53406962
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCn1nc(C(F)(F)F)c2c1CCC(N)C2
InChIInChI=1S/C9H12F3N3/c1-15-7-3-2-5(13)4-6(7)8(14-15)9(10,11)12/h5H,2-4,13H2,1H3
InChIKeyODCAGFKLIAWDMV-UHFFFAOYSA-N
XLogP1.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine (CID 53406962) is 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine is Cn1nc(C(F)(F)F)c2c1CCC(N)C2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine?
The InChIKey is ODCAGFKLIAWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-15-7-3-2-5(13)4-6(7)8(14-15)9(10,11)12/h5H,2-4,13H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine?
1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine has a molecular weight of 219.21 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-amine is sourced from PubChem (CID 53406962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).