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

C17H22N4 — CID 102791911

IUPAC8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1ccc(-c2nnc3n2CCNC3C2CC2)cc1
InChIInChI=1S/C17H22N4/c1-11(2)12-3-7-14(8-4-12)16-19-20-17-15(13-5-6-13)18-9-10-21(16)17/h3-4,7-8,11,13,15,18H,5-6,9-10H2,1-2H3
InChIKeyBPTJYABHCWIXFO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.12
Rot. Bonds3

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

8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791911) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791911
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)c1ccc(-c2nnc3n2CCNC3C2CC2)cc1
InChIInChI=1S/C17H22N4/c1-11(2)12-3-7-14(8-4-12)16-19-20-17-15(13-5-6-13)18-9-10-21(16)17/h3-4,7-8,11,13,15,18H,5-6,9-10H2,1-2H3
InChIKeyBPTJYABHCWIXFO-UHFFFAOYSA-N
XLogP3.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-cyclopropyl-3-(4-propan-2-ylphenyl)-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-cyclopropyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791866
8-cyclopropyl-3-(4-ethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791994
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
8-cyclopropyl-3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 106831432
5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
CID 136742922
8-cyclopropyl-3-(1-ethylcyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791974
3,8-dipyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792330
8-cyclopropyl-3-(propoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114019583
3-(3-fluoro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585909
8-tert-butyl-3-(6-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792109
6-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)quinoxaline
CID 62876095

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791911) is 8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)c1ccc(-c2nnc3n2CCNC3C2CC2)cc1.
What is the InChIKey of 8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BPTJYABHCWIXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11(2)12-3-7-14(8-4-12)16-19-20-17-15(13-5-6-13)18-9-10-21(16)17/h3-4,7-8,11,13,15,18H,5-6,9-10H2,1-2H3.
What are the key properties of 8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 282.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).