5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine

C10H17F3N4 — CID 113327069

IUPAC5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ncn[nH]1
InChIInChI=1S/C10H17F3N4/c1-2-6-14-8(9-15-7-16-17-9)4-3-5-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16,17)
InChIKeyQSDMZCKTXOJSGB-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.58
Rot. Bonds7

About 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine

5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine (PubChem CID 113327069) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
PubChem CID113327069
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ncn[nH]1
InChIInChI=1S/C10H17F3N4/c1-2-6-14-8(9-15-7-16-17-9)4-3-5-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16,17)
InChIKeyQSDMZCKTXOJSGB-UHFFFAOYSA-N
XLogP2.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine (CID 113327069) is 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine is CCCNC(CCCC(F)(F)F)c1ncn[nH]1.
What is the InChIKey of 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The InChIKey is QSDMZCKTXOJSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-2-6-14-8(9-15-7-16-17-9)4-3-5-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16,17).
What are the key properties of 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine has a molecular weight of 250.27 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine is sourced from PubChem (CID 113327069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).