(2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone

C9H14N4O2 — CID 47334744

IUPAC(2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cn[nH]n2)CC(C)O1
InChIInChI=1S/C9H14N4O2/c1-6-4-13(5-7(2)15-6)9(14)8-3-10-12-11-8/h3,6-7H,4-5H2,1-2H3,(H,10,11,12)
InChIKeyNMZYVCGNZHCNKB-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.05
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone (PubChem CID 47334744) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone
PubChem CID47334744
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cn[nH]n2)CC(C)O1
InChIInChI=1S/C9H14N4O2/c1-6-4-13(5-7(2)15-6)9(14)8-3-10-12-11-8/h3,6-7H,4-5H2,1-2H3,(H,10,11,12)
InChIKeyNMZYVCGNZHCNKB-UHFFFAOYSA-N
XLogP0.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone (CID 47334744) is (2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone is CC1CN(C(=O)c2cn[nH]n2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is NMZYVCGNZHCNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-4-13(5-7(2)15-6)9(14)8-3-10-12-11-8/h3,6-7H,4-5H2,1-2H3,(H,10,11,12).
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 210.24 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 47334744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).