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

C17H26N4 — CID 102791629

IUPAC3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c1nnc2C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26N4/c1-2-14-16-19-20-17(21(16)4-3-18-14)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15,18H,2-9H2,1H3
InChIKeyPTNFXQKPVWLGGS-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.87
Rot. Bonds2

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

3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791629) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791629
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC1NCCn2c1nnc2C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26N4/c1-2-14-16-19-20-17(21(16)4-3-18-14)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15,18H,2-9H2,1H3
InChIKeyPTNFXQKPVWLGGS-UHFFFAOYSA-N
XLogP2.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791629) is 3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCC1NCCn2c1nnc2C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PTNFXQKPVWLGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-14-16-19-20-17(21(16)4-3-18-14)15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15,18H,2-9H2,1H3.
What are the key properties of 3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 286.42 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)-8-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).