4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid

C11H15N5O4 — CID 64577372

IUPAC4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)N2CCn3cnnc3C2)CCO1
InChIInChI=1S/C11H15N5O4/c17-10(18)8-5-15(3-4-20-8)11(19)14-1-2-16-7-12-13-9(16)6-14/h7-8H,1-6H2,(H,17,18)
InChIKeyKEFYIOFGJBSPNR-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.00
Rot. Bonds1

About 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid (PubChem CID 64577372) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid
PubChem CID64577372
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)N2CCn3cnnc3C2)CCO1
InChIInChI=1S/C11H15N5O4/c17-10(18)8-5-15(3-4-20-8)11(19)14-1-2-16-7-12-13-9(16)6-14/h7-8H,1-6H2,(H,17,18)
InChIKeyKEFYIOFGJBSPNR-UHFFFAOYSA-N
XLogP-1.00
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid (CID 64577372) is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)N2CCn3cnnc3C2)CCO1.
What is the InChIKey of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is KEFYIOFGJBSPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c17-10(18)8-5-15(3-4-20-8)11(19)14-1-2-16-7-12-13-9(16)6-14/h7-8H,1-6H2,(H,17,18).
What are the key properties of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid?
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 64577372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).