3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C11H18N4 — CID 62586613

IUPAC3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C11H18N4/c1-2-4-9(5-3-1)11-14-13-10-8-12-6-7-15(10)11/h9,12H,1-8H2
InChIKeyYXDJSGCOBRHXGW-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.43
Rot. Bonds1

About 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62586613) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62586613
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C11H18N4/c1-2-4-9(5-3-1)11-14-13-10-8-12-6-7-15(10)11/h9,12H,1-8H2
InChIKeyYXDJSGCOBRHXGW-UHFFFAOYSA-N
XLogP1.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62586613) is 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is C1CCC(c2nnc3n2CCNC3)CC1.
What is the InChIKey of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YXDJSGCOBRHXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-4-9(5-3-1)11-14-13-10-8-12-6-7-15(10)11/h9,12H,1-8H2.
What are the key properties of 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 206.29 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 62586613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).