[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol

C10H18N4O2 — CID 79662691

IUPAC[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCC(C)N1CCOC(c2n[nH]c(CO)n2)C1
InChIInChI=1S/C10H18N4O2/c1-7(2)14-3-4-16-8(5-14)10-11-9(6-15)12-13-10/h7-8,15H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyXJOQXGGMGDUTJT-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.08
Rot. Bonds3

About [3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol

[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 79662691) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is [3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID79662691
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCC(C)N1CCOC(c2n[nH]c(CO)n2)C1
InChIInChI=1S/C10H18N4O2/c1-7(2)14-3-4-16-8(5-14)10-11-9(6-15)12-13-10/h7-8,15H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyXJOQXGGMGDUTJT-UHFFFAOYSA-N
XLogP0.08
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol (CID 79662691) is [3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol is CC(C)N1CCOC(c2n[nH]c(CO)n2)C1.
What is the InChIKey of [3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is XJOQXGGMGDUTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)14-3-4-16-8(5-14)10-11-9(6-15)12-13-10/h7-8,15H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of [3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 226.28 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 79662691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).