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

C15H17ClN4O2 — CID 95157090

IUPAC[1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn(-c3ccccc3Cl)nn2)C[C@@H](C)O1
InChIInChI=1S/C15H17ClN4O2/c1-10-7-19(8-11(2)22-10)15(21)13-9-20(18-17-13)14-6-4-3-5-12(14)16/h3-6,9-11H,7-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyVFJMYFCRAGXDNT-GHMZBOCLSA-N
MW320.78 g/mol
LogP2.17
Rot. Bonds2

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

[1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 95157090) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is [1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID95157090
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name[1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn(-c3ccccc3Cl)nn2)C[C@@H](C)O1
InChIInChI=1S/C15H17ClN4O2/c1-10-7-19(8-11(2)22-10)15(21)13-9-20(18-17-13)14-6-4-3-5-12(14)16/h3-6,9-11H,7-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyVFJMYFCRAGXDNT-GHMZBOCLSA-N
XLogP2.17
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-chlorophenyl)triazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561385
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-chlorophenyl)triazol-4-yl]methanone;hydrochloride
CID 120816567
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
[1-(2-chlorophenyl)triazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995802
[1-(3-chloro-2-fluorophenyl)triazol-4-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 84596516
N-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-1-phenyltriazole-4-carboxamide
CID 51593261
[1-(2-chlorophenyl)triazol-4-yl]-morpholin-4-ylmethanethione
CID 1499686
2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid
CID 119210433
5-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122118632
[1-(2-chlorophenyl)triazol-4-yl]-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 167744573
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 95157090) is [1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cn(-c3ccccc3Cl)nn2)C[C@@H](C)O1.
What is the InChIKey of [1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is VFJMYFCRAGXDNT-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-10-7-19(8-11(2)22-10)15(21)13-9-20(18-17-13)14-6-4-3-5-12(14)16/h3-6,9-11H,7-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of [1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 320.78 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 95157090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).