[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone

C18H16ClN5O2 — CID 95215113

IUPAC[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(-n2cnnc2)n1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16ClN5O2/c19-14-6-4-13(5-7-14)16-10-23(8-9-26-16)18(25)15-2-1-3-17(22-15)24-11-20-21-12-24/h1-7,11-12,16H,8-10H2/t16-/m1/s1
InChIKeyNIIUTXZLVQBEPS-MRXNPFEDSA-N
MW369.81 g/mol
LogP2.53
Rot. Bonds3

About [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone

[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone (PubChem CID 95215113) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
PubChem CID95215113
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(-n2cnnc2)n1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16ClN5O2/c19-14-6-4-13(5-7-14)16-10-23(8-9-26-16)18(25)15-2-1-3-17(22-15)24-11-20-21-12-24/h1-7,11-12,16H,8-10H2/t16-/m1/s1
InChIKeyNIIUTXZLVQBEPS-MRXNPFEDSA-N
XLogP2.53
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone with MolForge

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95561076
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
CID 129346071
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 42649604
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95554145
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
[2-(4-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110356670
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone?
The IUPAC name of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone (CID 95215113) is [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone?
The canonical SMILES for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone is O=C(c1cccc(-n2cnnc2)n1)N1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone?
The InChIKey is NIIUTXZLVQBEPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-14-6-4-13(5-7-14)16-10-23(8-9-26-16)18(25)15-2-1-3-17(22-15)24-11-20-21-12-24/h1-7,11-12,16H,8-10H2/t16-/m1/s1.
What are the key properties of [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone?
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone has a molecular weight of 369.81 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 95215113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).