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

C8H14N4O2 — CID 79600443

IUPAC[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCN1CCOC(c2n[nH]c(CO)n2)C1
InChIInChI=1S/C8H14N4O2/c1-12-2-3-14-6(4-12)8-9-7(5-13)10-11-8/h6,13H,2-5H2,1H3,(H,9,10,11)
InChIKeyYUCVBXPNJKZXNU-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.70
Rot. Bonds2

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

[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 79600443) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is [3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID79600443
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCN1CCOC(c2n[nH]c(CO)n2)C1
InChIInChI=1S/C8H14N4O2/c1-12-2-3-14-6(4-12)8-9-7(5-13)10-11-8/h6,13H,2-5H2,1H3,(H,9,10,11)
InChIKeyYUCVBXPNJKZXNU-UHFFFAOYSA-N
XLogP-0.70
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol (CID 79600443) is [3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol is CN1CCOC(c2n[nH]c(CO)n2)C1.
What is the InChIKey of [3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is YUCVBXPNJKZXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-12-2-3-14-6(4-12)8-9-7(5-13)10-11-8/h6,13H,2-5H2,1H3,(H,9,10,11).
What are the key properties of [3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 198.23 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 79600443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).