8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C17H22N4 — CID 102791870

IUPAC8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(CCCc2nnc3n2CCNC3C2CC2)cc1
InChIInChI=1S/C17H22N4/c1-2-5-13(6-3-1)7-4-8-15-19-20-17-16(14-9-10-14)18-11-12-21(15)17/h1-3,5-6,14,16,18H,4,7-12H2
InChIKeyZJTQSRDXGWGJOO-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.51
Rot. Bonds5

About 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791870) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791870
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(CCCc2nnc3n2CCNC3C2CC2)cc1
InChIInChI=1S/C17H22N4/c1-2-5-13(6-3-1)7-4-8-15-19-20-17-16(14-9-10-14)18-11-12-21(15)17/h1-3,5-6,14,16,18H,4,7-12H2
InChIKeyZJTQSRDXGWGJOO-UHFFFAOYSA-N
XLogP2.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 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

8-ethyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791606
8-cyclopropyl-3-(propoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114019583
8-cyclopropyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791866
8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791984
3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791896
[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392348
8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791911
3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791803
3-cyclopropyl-1-(4-phenylbutyl)-1,4-diazepane
CID 114334965
3-cyclohexyl-1-(3-phenylpropyl)piperazine
CID 64834291
8-cyclopropyl-3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 106831432
8-cyclopropyl-3-(5-methyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791899

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791870) is 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc(CCCc2nnc3n2CCNC3C2CC2)cc1.
What is the InChIKey of 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZJTQSRDXGWGJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-5-13(6-3-1)7-4-8-15-19-20-17-16(14-9-10-14)18-11-12-21(15)17/h1-3,5-6,14,16,18H,4,7-12H2.
What are the key properties of 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 282.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).