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

C13H18F3N5 — CID 64577029

IUPACcyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H18F3N5/c14-13(15,16)12-19-18-10-8-20(6-7-21(10)12)11(17)9-4-2-1-3-5-9/h9,17H,1-8H2/b17-11+
InChIKeyYUPWXCZCPRNRFD-GZTJUZNOSA-N
MW301.32 g/mol
LogP2.67
Rot. Bonds1

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

cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine (PubChem CID 64577029) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine.

Molecular Properties

Compound Namecyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine
PubChem CID64577029
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC Namecyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C13H18F3N5/c14-13(15,16)12-19-18-10-8-20(6-7-21(10)12)11(17)9-4-2-1-3-5-9/h9,17H,1-8H2/b17-11+
InChIKeyYUPWXCZCPRNRFD-GZTJUZNOSA-N
XLogP2.67
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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

3-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585362
7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134793426
[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine dihydrochloride
CID 71756350
[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 71757723
[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 73994629
1-(7-(trifluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-yl)methanamine dihydrochloride
CID 119106377
7-(Cyclohexylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
CID 53193669
[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 71756351
3-[(Dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 119104833
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 121515910
3-Methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 70575756
[3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 83866403

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine?
The IUPAC name of cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine (CID 64577029) is cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine.
What is the SMILES notation for cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine?
The canonical SMILES for cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine is [H]/N=C(\C1CCCCC1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine?
The InChIKey is YUPWXCZCPRNRFD-GZTJUZNOSA-N. The full InChI is InChI=1S/C13H18F3N5/c14-13(15,16)12-19-18-10-8-20(6-7-21(10)12)11(17)9-4-2-1-3-5-9/h9,17H,1-8H2/b17-11+.
What are the key properties of cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine?
cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine has a molecular weight of 301.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanimine is sourced from PubChem (CID 64577029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).