3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine

C10H18N4O — CID 105464334

IUPAC3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)(C)c1n[nH]c(C2COCCN2)n1
InChIInChI=1S/C10H18N4O/c1-10(2,3)9-12-8(13-14-9)7-6-15-5-4-11-7/h7,11H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyXKMFEEDYZHMSMB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.76
Rot. Bonds1

About 3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine

3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 105464334) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine.

Molecular Properties

Compound Name3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine
PubChem CID105464334
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)(C)c1n[nH]c(C2COCCN2)n1
InChIInChI=1S/C10H18N4O/c1-10(2,3)9-12-8(13-14-9)7-6-15-5-4-11-7/h7,11H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyXKMFEEDYZHMSMB-UHFFFAOYSA-N
XLogP0.76
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of 3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine (CID 105464334) is 3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine.
What is the SMILES notation for 3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine?
The canonical SMILES for 3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine is CC(C)(C)c1n[nH]c(C2COCCN2)n1.
What is the InChIKey of 3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is XKMFEEDYZHMSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,3)9-12-8(13-14-9)7-6-15-5-4-11-7/h7,11H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine?
3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine has a molecular weight of 210.28 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 105464334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).