6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine

C10H17F3N4 — CID 114167988

IUPAC6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(C)c1ncn[nH]1
InChIInChI=1S/C10H17F3N4/c1-7(4-3-5-10(11,12)13)16-8(2)9-14-6-15-17-9/h6-8,16H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyPEWPHHQUQXKOPT-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.58
Rot. Bonds6

About 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine

6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine (PubChem CID 114167988) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
PubChem CID114167988
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(C)c1ncn[nH]1
InChIInChI=1S/C10H17F3N4/c1-7(4-3-5-10(11,12)13)16-8(2)9-14-6-15-17-9/h6-8,16H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyPEWPHHQUQXKOPT-UHFFFAOYSA-N
XLogP2.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-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 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine (CID 114167988) is 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine is CC(CCCC(F)(F)F)NC(C)c1ncn[nH]1.
What is the InChIKey of 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine?
The InChIKey is PEWPHHQUQXKOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-7(4-3-5-10(11,12)13)16-8(2)9-14-6-15-17-9/h6-8,16H,3-5H2,1-2H3,(H,14,15,17).
What are the key properties of 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine?
6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine has a molecular weight of 250.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 114167988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).