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

C13H22N4 — CID 107005928

IUPAC3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c1nnc2C1CC1(C)C
InChIInChI=1S/C13H22N4/c1-4-5-10-12-16-15-11(9-8-13(9,2)3)17(12)7-6-14-10/h9-10,14H,4-8H2,1-3H3
InChIKeyGXVRBOMMTGTFQZ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.24
Rot. Bonds3

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

3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 107005928) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID107005928
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC1NCCn2c1nnc2C1CC1(C)C
InChIInChI=1S/C13H22N4/c1-4-5-10-12-16-15-11(9-8-13(9,2)3)17(12)7-6-14-10/h9-10,14H,4-8H2,1-3H3
InChIKeyGXVRBOMMTGTFQZ-UHFFFAOYSA-N
XLogP2.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 107005928) is 3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCCC1NCCn2c1nnc2C1CC1(C)C.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GXVRBOMMTGTFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-5-10-12-16-15-11(9-8-13(9,2)3)17(12)7-6-14-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 234.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 107005928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).