4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine

C9H12N6O2 — CID 91973757

IUPAC4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine
SMILESCc1nc(-c2nonc2N2CCOCC2)n[nH]1
InChIInChI=1S/C9H12N6O2/c1-6-10-8(12-11-6)7-9(14-17-13-7)15-2-4-16-5-3-15/h2-5H2,1H3,(H,10,11,12)
InChIKeyOKFSKRXVWURLLI-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.00
Rot. Bonds2

About 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine

4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine (PubChem CID 91973757) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine
PubChem CID91973757
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine
SMILESCc1nc(-c2nonc2N2CCOCC2)n[nH]1
InChIInChI=1S/C9H12N6O2/c1-6-10-8(12-11-6)7-9(14-17-13-7)15-2-4-16-5-3-15/h2-5H2,1H3,(H,10,11,12)
InChIKeyOKFSKRXVWURLLI-UHFFFAOYSA-N
XLogP-0.00
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine (CID 91973757) is 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine is Cc1nc(-c2nonc2N2CCOCC2)n[nH]1.
What is the InChIKey of 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine?
The InChIKey is OKFSKRXVWURLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-6-10-8(12-11-6)7-9(14-17-13-7)15-2-4-16-5-3-15/h2-5H2,1H3,(H,10,11,12).
What are the key properties of 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine?
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine has a molecular weight of 236.23 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 91973757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).