2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine

C12H21N5O — CID 64575897

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine
SMILESNCC(C1CCOCC1)N1CCn2cnnc2C1
InChIInChI=1S/C12H21N5O/c13-7-11(10-1-5-18-6-2-10)16-3-4-17-9-14-15-12(17)8-16/h9-11H,1-8,13H2
InChIKeyCZZOTQVAUWTHFW-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.15
Rot. Bonds3

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 64575897) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine
PubChem CID64575897
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine
SMILESNCC(C1CCOCC1)N1CCn2cnnc2C1
InChIInChI=1S/C12H21N5O/c13-7-11(10-1-5-18-6-2-10)16-3-4-17-9-14-15-12(17)8-16/h9-11H,1-8,13H2
InChIKeyCZZOTQVAUWTHFW-UHFFFAOYSA-N
XLogP-0.15
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine (CID 64575897) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine is NCC(C1CCOCC1)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is CZZOTQVAUWTHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-7-11(10-1-5-18-6-2-10)16-3-4-17-9-14-15-12(17)8-16/h9-11H,1-8,13H2.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 64575897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).