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

C10H16N4O — CID 63015106

IUPAC3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1COCC(c2nnc3n2CCNC3)C1
InChIInChI=1S/C10H16N4O/c1-2-8(7-15-5-1)10-13-12-9-6-11-3-4-14(9)10/h8,11H,1-7H2
InChIKeyKLRIPRFYADHWKH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.28
Rot. Bonds1

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

3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 63015106) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID63015106
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1COCC(c2nnc3n2CCNC3)C1
InChIInChI=1S/C10H16N4O/c1-2-8(7-15-5-1)10-13-12-9-6-11-3-4-14(9)10/h8,11H,1-7H2
InChIKeyKLRIPRFYADHWKH-UHFFFAOYSA-N
XLogP0.28
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 63015106) is 3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is C1COCC(c2nnc3n2CCNC3)C1.
What is the InChIKey of 3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KLRIPRFYADHWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-8(7-15-5-1)10-13-12-9-6-11-3-4-14(9)10/h8,11H,1-7H2.
What are the key properties of 3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 208.26 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 63015106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).