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

C12H18F3N5 — CID 64576405

IUPACN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
SMILESFC(F)(F)c1nnc2n1CCN(CCNCC1CC1)C2
InChIInChI=1S/C12H18F3N5/c13-12(14,15)11-18-17-10-8-19(5-6-20(10)11)4-3-16-7-9-1-2-9/h9,16H,1-8H2
InChIKeyVDNALEKXQXYEEN-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.11
Rot. Bonds5

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

N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine (PubChem CID 64576405) has the molecular formula C12H18F3N5 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
PubChem CID64576405
Molecular FormulaC12H18F3N5
Molecular Weight289.30 g/mol
Exact Mass289.15
IUPAC NameN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
SMILESFC(F)(F)c1nnc2n1CCN(CCNCC1CC1)C2
InChIInChI=1S/C12H18F3N5/c13-12(14,15)11-18-17-10-8-19(5-6-20(10)11)4-3-16-7-9-1-2-9/h9,16H,1-8H2
InChIKeyVDNALEKXQXYEEN-UHFFFAOYSA-N
XLogP1.11
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]prop-2-en-1-amine
CID 64578692
7-(4-bromobutyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64580179
6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-one
CID 64575178
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 64579223
N-(cyclopropylmethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 64577734
1-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
CID 64819804
2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoic acid
CID 64578839
N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-2-amine
CID 64577037
1-methoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64578822
7-benzyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 90906313
2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile
CID 64577862
2-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64578449

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine (CID 64576405) is N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine is FC(F)(F)c1nnc2n1CCN(CCNCC1CC1)C2.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
The InChIKey is VDNALEKXQXYEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c13-12(14,15)11-18-17-10-8-19(5-6-20(10)11)4-3-16-7-9-1-2-9/h9,16H,1-8H2.
What are the key properties of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine has a molecular weight of 289.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine is sourced from PubChem (CID 64576405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).