2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C12H17N5O2 — CID 66273275

IUPAC2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCNC2CCOCC2)nc2cnccn12
InChIInChI=1S/C12H17N5O2/c18-12-16-5-3-13-9-11(16)15-17(12)6-4-14-10-1-7-19-8-2-10/h3,5,9-10,14H,1-2,4,6-8H2
InChIKeyCGXQCBZNIYOBNG-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.34
Rot. Bonds4

About 2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273275) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273275
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCNC2CCOCC2)nc2cnccn12
InChIInChI=1S/C12H17N5O2/c18-12-16-5-3-13-9-11(16)15-17(12)6-4-14-10-1-7-19-8-2-10/h3,5,9-10,14H,1-2,4,6-8H2
InChIKeyCGXQCBZNIYOBNG-UHFFFAOYSA-N
XLogP-0.34
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273275) is 2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCNC2CCOCC2)nc2cnccn12.
What is the InChIKey of 2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is CGXQCBZNIYOBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-12-16-5-3-13-9-11(16)15-17(12)6-4-14-10-1-7-19-8-2-10/h3,5,9-10,14H,1-2,4,6-8H2.
What are the key properties of 2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 263.30 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).