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

C14H24N4 — CID 107195177

IUPAC3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c1nnc2C1CCCC1(C)C
InChIInChI=1S/C14H24N4/c1-4-11-13-17-16-12(18(13)9-8-15-11)10-6-5-7-14(10,2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyFUQFKOHWFJGUOQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds2

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

3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 107195177) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID107195177
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c1nnc2C1CCCC1(C)C
InChIInChI=1S/C14H24N4/c1-4-11-13-17-16-12(18(13)9-8-15-11)10-6-5-7-14(10,2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyFUQFKOHWFJGUOQ-UHFFFAOYSA-N
XLogP2.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 107195177) is 3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC1NCCn2c1nnc2C1CCCC1(C)C.
What is the InChIKey of 3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FUQFKOHWFJGUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-11-13-17-16-12(18(13)9-8-15-11)10-6-5-7-14(10,2)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 248.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopentyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 107195177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).