3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C10H13N5O — CID 139296109

IUPAC3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCCCO3)nnc12
InChIInChI=1S/C10H13N5O/c11-8-10-14-13-9(15(10)5-4-12-8)7-3-1-2-6-16-7/h4-5,7H,1-3,6H2,(H2,11,12)
InChIKeyXHVLEUBAZJKJPB-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.95
Rot. Bonds1

About 3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 139296109) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID139296109
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCCCO3)nnc12
InChIInChI=1S/C10H13N5O/c11-8-10-14-13-9(15(10)5-4-12-8)7-3-1-2-6-16-7/h4-5,7H,1-3,6H2,(H2,11,12)
InChIKeyXHVLEUBAZJKJPB-UHFFFAOYSA-N
XLogP0.95
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 139296109) is 3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Nc1nccn2c(C3CCCCO3)nnc12.
What is the InChIKey of 3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is XHVLEUBAZJKJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-8-10-14-13-9(15(10)5-4-12-8)7-3-1-2-6-16-7/h4-5,7H,1-3,6H2,(H2,11,12).
What are the key properties of 3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 219.25 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 139296109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).