[6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol

C12H22N4O2 — CID 114223167

IUPAC[6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol
SMILESCCCn1nncc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H22N4O2/c1-4-5-16-11(6-13-14-16)15-7-10(8-17)18-12(2,3)9-15/h6,10,17H,4-5,7-9H2,1-3H3
InChIKeySCTMGLZCSFDMPC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.66
Rot. Bonds4

About [6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol

[6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol (PubChem CID 114223167) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol
PubChem CID114223167
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name[6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol
SMILESCCCn1nncc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H22N4O2/c1-4-5-16-11(6-13-14-16)15-7-10(8-17)18-12(2,3)9-15/h6,10,17H,4-5,7-9H2,1-3H3
InChIKeySCTMGLZCSFDMPC-UHFFFAOYSA-N
XLogP0.66
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol (CID 114223167) is [6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol is CCCn1nncc1N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol?
The InChIKey is SCTMGLZCSFDMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-5-16-11(6-13-14-16)15-7-10(8-17)18-12(2,3)9-15/h6,10,17H,4-5,7-9H2,1-3H3.
What are the key properties of [6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol?
[6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol has a molecular weight of 254.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-(3-propyltriazol-4-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 114223167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).