[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

C16H20N4O2 — CID 42031790

IUPAC[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)C[C@@H](C)O1
InChIInChI=1S/C16H20N4O2/c1-12-7-19(8-13(2)22-12)16(21)15-5-3-14(4-6-15)9-20-11-17-10-18-20/h3-6,10-13H,7-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyVQAGCOJOIOBGFF-CHWSQXEVSA-N
MW300.36 g/mol
LogP1.58
Rot. Bonds3

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (PubChem CID 42031790) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
PubChem CID42031790
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)C[C@@H](C)O1
InChIInChI=1S/C16H20N4O2/c1-12-7-19(8-13(2)22-12)16(21)15-5-3-14(4-6-15)9-20-11-17-10-18-20/h3-6,10-13H,7-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyVQAGCOJOIOBGFF-CHWSQXEVSA-N
XLogP1.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 24615697
piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 53001379
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 167833927
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 30938195
(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 35669651
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 94178820
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 27660858
2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile
CID 82179212
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
(2R,6S)-2-ethyl-6-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 95622043

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (CID 42031790) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is C[C@@H]1CN(C(=O)c2ccc(Cn3cncn3)cc2)C[C@@H](C)O1.
What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The InChIKey is VQAGCOJOIOBGFF-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-7-19(8-13(2)22-12)16(21)15-5-3-14(4-6-15)9-20-11-17-10-18-20/h3-6,10-13H,7-9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone has a molecular weight of 300.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 42031790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).