[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

C12H22N4O2 — CID 114779886

IUPAC[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1nnc(CN2CC(CO)OC(C)(C)C2)n1C
InChIInChI=1S/C12H22N4O2/c1-9-13-14-11(15(9)4)6-16-5-10(7-17)18-12(2,3)8-16/h10,17H,5-8H2,1-4H3
InChIKeyZQVPILIVTRWUAP-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.10
Rot. Bonds3

About [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779886) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779886
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1nnc(CN2CC(CO)OC(C)(C)C2)n1C
InChIInChI=1S/C12H22N4O2/c1-9-13-14-11(15(9)4)6-16-5-10(7-17)18-12(2,3)8-16/h10,17H,5-8H2,1-4H3
InChIKeyZQVPILIVTRWUAP-UHFFFAOYSA-N
XLogP0.10
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779886) is [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is Cc1nnc(CN2CC(CO)OC(C)(C)C2)n1C.
What is the InChIKey of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is ZQVPILIVTRWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9-13-14-11(15(9)4)6-16-5-10(7-17)18-12(2,3)8-16/h10,17H,5-8H2,1-4H3.
What are the key properties of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 254.33 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).