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

C11H19N5O — CID 64575139

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine
SMILESNCC(C1CCOC1)N1CCn2cnnc2C1
InChIInChI=1S/C11H19N5O/c12-5-10(9-1-4-17-7-9)15-2-3-16-8-13-14-11(16)6-15/h8-10H,1-7,12H2
InChIKeyKTALVOUOVHTXJR-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.54
Rot. Bonds3

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine (PubChem CID 64575139) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine
PubChem CID64575139
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine
SMILESNCC(C1CCOC1)N1CCn2cnnc2C1
InChIInChI=1S/C11H19N5O/c12-5-10(9-1-4-17-7-9)15-2-3-16-8-13-14-11(16)6-15/h8-10H,1-7,12H2
InChIKeyKTALVOUOVHTXJR-UHFFFAOYSA-N
XLogP-0.54
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.54
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-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine (CID 64575139) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine is NCC(C1CCOC1)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is KTALVOUOVHTXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-5-10(9-1-4-17-7-9)15-2-3-16-8-13-14-11(16)6-15/h8-10H,1-7,12H2.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 237.31 g/mol, XLogP of -0.54, 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-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 64575139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).