4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine

C14H19N7O2 — CID 11197906

IUPAC4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine
SMILESc1ncc(N2CCOCC2)nc1-c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C14H19N7O2/c1-5-22-6-2-20(1)12-10-15-9-11(16-12)13-17-14(19-18-13)21-3-7-23-8-4-21/h9-10H,1-8H2,(H,17,18,19)
InChIKeyYORATUHULMFZTJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.07
Rot. Bonds3

About 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine

4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine (PubChem CID 11197906) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine
PubChem CID11197906
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine
SMILESc1ncc(N2CCOCC2)nc1-c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C14H19N7O2/c1-5-22-6-2-20(1)12-10-15-9-11(16-12)13-17-14(19-18-13)21-3-7-23-8-4-21/h9-10H,1-8H2,(H,17,18,19)
InChIKeyYORATUHULMFZTJ-UHFFFAOYSA-N
XLogP-0.07
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine (CID 11197906) is 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine is c1ncc(N2CCOCC2)nc1-c1nc(N2CCOCC2)n[nH]1.
What is the InChIKey of 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine?
The InChIKey is YORATUHULMFZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-5-22-6-2-20(1)12-10-15-9-11(16-12)13-17-14(19-18-13)21-3-7-23-8-4-21/h9-10H,1-8H2,(H,17,18,19).
What are the key properties of 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine?
4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine has a molecular weight of 317.35 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-morpholin-4-ylpyrazin-2-yl)-1H-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 11197906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).