6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine

C12H20F3N5 — CID 64574958

IUPAC6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine
SMILESCC(N)CCCCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H20F3N5/c1-9(16)4-2-3-5-19-6-7-20-10(8-19)17-18-11(20)12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyWRKWATRUFFDDMT-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.63
Rot. Bonds5

About 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine

6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine (PubChem CID 64574958) has the molecular formula C12H20F3N5 and a molecular weight of 291.32 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine
PubChem CID64574958
Molecular FormulaC12H20F3N5
Molecular Weight291.32 g/mol
Exact Mass291.17
IUPAC Name6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine
SMILESCC(N)CCCCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H20F3N5/c1-9(16)4-2-3-5-19-6-7-20-10(8-19)17-18-11(20)12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyWRKWATRUFFDDMT-UHFFFAOYSA-N
XLogP1.63
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine?
The IUPAC name of 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine (CID 64574958) is 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine is CC(N)CCCCN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine?
The InChIKey is WRKWATRUFFDDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5/c1-9(16)4-2-3-5-19-6-7-20-10(8-19)17-18-11(20)12(13,14)15/h9H,2-8,16H2,1H3.
What are the key properties of 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine?
6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine has a molecular weight of 291.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine is sourced from PubChem (CID 64574958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).