N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine

C10H15F3N4 — CID 79266376

IUPACN-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)6-14-5-8-15-9(17-16-8)7-3-1-2-4-7/h7,14H,1-6H2,(H,15,16,17)
InChIKeyORCCIPQDBCNGQY-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.11
Rot. Bonds4

About N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine

N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 79266376) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID79266376
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC NameN-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)6-14-5-8-15-9(17-16-8)7-3-1-2-4-7/h7,14H,1-6H2,(H,15,16,17)
InChIKeyORCCIPQDBCNGQY-UHFFFAOYSA-N
XLogP2.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine (CID 79266376) is N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is ORCCIPQDBCNGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)6-14-5-8-15-9(17-16-8)7-3-1-2-4-7/h7,14H,1-6H2,(H,15,16,17).
What are the key properties of N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 248.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 79266376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).