1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine

C10H14F3N3 — CID 43254493

IUPAC1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCC(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-16-9-4-2-3-8(7(9)5-15-16)14-6-10(11,12)13/h5,8,14H,2-4,6H2,1H3
InChIKeyQTKGXFBWODVKDD-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.95
Rot. Bonds2

About 1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43254493) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43254493
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCC(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-16-9-4-2-3-8(7(9)5-15-16)14-6-10(11,12)13/h5,8,14H,2-4,6H2,1H3
InChIKeyQTKGXFBWODVKDD-UHFFFAOYSA-N
XLogP1.95
TPSA29.85 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 43254493) is 1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCC(F)(F)F.
What is the InChIKey of 1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is QTKGXFBWODVKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-16-9-4-2-3-8(7(9)5-15-16)14-6-10(11,12)13/h5,8,14H,2-4,6H2,1H3.
What are the key properties of 1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 233.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43254493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).