3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C14H20N4 — CID 102791896

IUPAC3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1Cn2c(C3CC4CC4C3)nnc2C(C2CC2)N1
InChIInChI=1S/C14H20N4/c1-2-8(1)12-14-17-16-13(18(14)4-3-15-12)11-6-9-5-10(9)7-11/h8-12,15H,1-7H2
InChIKeyYDBWJNCNQOLMCL-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.85
Rot. Bonds2

About 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791896) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791896
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1Cn2c(C3CC4CC4C3)nnc2C(C2CC2)N1
InChIInChI=1S/C14H20N4/c1-2-8(1)12-14-17-16-13(18(14)4-3-15-12)11-6-9-5-10(9)7-11/h8-12,15H,1-7H2
InChIKeyYDBWJNCNQOLMCL-UHFFFAOYSA-N
XLogP1.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

8-cyclopropyl-3-(5-methyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791899
3-(3-bicyclo[3.1.0]hexanyl)-8-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792079
8-cyclopropyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791866
8-cyclopropyl-3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791911
8-cyclopropyl-3-(4-ethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791994
8-cyclopropyl-3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 106831432
8-cyclopropyl-3-(1-ethylcyclopentyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791974
8-cyclopropyl-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791984
8-cyclopropyl-3-(propoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114019583
8-cyclopropyl-3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791870
3-(3,3-difluorocyclopentyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114226592
3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791629

Frequently Asked Questions

What is the IUPAC name of 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791896) is 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is C1Cn2c(C3CC4CC4C3)nnc2C(C2CC2)N1.
What is the InChIKey of 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YDBWJNCNQOLMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-8(1)12-14-17-16-13(18(14)4-3-15-12)11-6-9-5-10(9)7-11/h8-12,15H,1-7H2.
What are the key properties of 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 244.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bicyclo[3.1.0]hexanyl)-8-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).