2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine

C8H11F3N4 — CID 79788705

IUPAC2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1n[nH]c(C2CC2)n1)C(F)(F)F
InChIInChI=1S/C8H11F3N4/c1-7(12,8(9,10)11)6-13-5(14-15-6)4-2-3-4/h4H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyUUUJJCVMUWYLFF-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.42
Rot. Bonds2

About 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine

2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 79788705) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID79788705
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1n[nH]c(C2CC2)n1)C(F)(F)F
InChIInChI=1S/C8H11F3N4/c1-7(12,8(9,10)11)6-13-5(14-15-6)4-2-3-4/h4H,2-3,12H2,1H3,(H,13,14,15)
InChIKeyUUUJJCVMUWYLFF-UHFFFAOYSA-N
XLogP1.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine (CID 79788705) is 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine is CC(N)(c1n[nH]c(C2CC2)n1)C(F)(F)F.
What is the InChIKey of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is UUUJJCVMUWYLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-7(12,8(9,10)11)6-13-5(14-15-6)4-2-3-4/h4H,2-3,12H2,1H3,(H,13,14,15).
What are the key properties of 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 220.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 79788705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).