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

C10H15F3N4 — CID 79788957

IUPAC2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1n[nH]c(C2CCCC2)n1)C(F)(F)F
InChIInChI=1S/C10H15F3N4/c1-9(14,10(11,12)13)8-15-7(16-17-8)6-4-2-3-5-6/h6H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyCBFFYQKEQFWQFQ-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.20
Rot. Bonds2

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

2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 79788957) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID79788957
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1n[nH]c(C2CCCC2)n1)C(F)(F)F
InChIInChI=1S/C10H15F3N4/c1-9(14,10(11,12)13)8-15-7(16-17-8)6-4-2-3-5-6/h6H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyCBFFYQKEQFWQFQ-UHFFFAOYSA-N
XLogP2.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine (CID 79788957) is 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine is CC(N)(c1n[nH]c(C2CCCC2)n1)C(F)(F)F.
What is the InChIKey of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is CBFFYQKEQFWQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-9(14,10(11,12)13)8-15-7(16-17-8)6-4-2-3-5-6/h6H,2-5,14H2,1H3,(H,15,16,17).
What are the key properties of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 248.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 79788957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).