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

C12H18F3N3 — CID 64754308

IUPACN-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC(C)(C)Nc1n[nH]c2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C12H18F3N3/c1-11(2,3)16-10-8-6-7(12(13,14)15)4-5-9(8)17-18-10/h7H,4-6H2,1-3H3,(H2,16,17,18)
InChIKeyDFVUEZFPRNXQQY-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.29
Rot. Bonds1

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

N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 64754308) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID64754308
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC(C)(C)Nc1n[nH]c2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C12H18F3N3/c1-11(2,3)16-10-8-6-7(12(13,14)15)4-5-9(8)17-18-10/h7H,4-6H2,1-3H3,(H2,16,17,18)
InChIKeyDFVUEZFPRNXQQY-UHFFFAOYSA-N
XLogP3.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 64754308) is N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is CC(C)(C)Nc1n[nH]c2c1CC(C(F)(F)F)CC2.
What is the InChIKey of N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is DFVUEZFPRNXQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-11(2,3)16-10-8-6-7(12(13,14)15)4-5-9(8)17-18-10/h7H,4-6H2,1-3H3,(H2,16,17,18).
What are the key properties of N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 261.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 64754308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).