[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone

C20H20N4O2 — CID 86985839

IUPAC[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
SMILESCc1ccc(-n2cc(C(=O)N3CCOC(c4ccccc4)C3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-15-7-9-17(10-8-15)24-13-18(21-22-24)20(25)23-11-12-26-19(14-23)16-5-3-2-4-6-16/h2-10,13,19H,11-12,14H2,1H3
InChIKeySIPIBGSPDOMVDP-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.79
Rot. Bonds3

About [1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone

[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone (PubChem CID 86985839) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
PubChem CID86985839
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
SMILESCc1ccc(-n2cc(C(=O)N3CCOC(c4ccccc4)C3)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-15-7-9-17(10-8-15)24-13-18(21-22-24)20(25)23-11-12-26-19(14-23)16-5-3-2-4-6-16/h2-10,13,19H,11-12,14H2,1H3
InChIKeySIPIBGSPDOMVDP-UHFFFAOYSA-N
XLogP2.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 95714622
[2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 56891712
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482
[(3S)-3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124574837
[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415549
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 42649604
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 134040128
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
[(2R)-2-phenylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 96558365
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 131903363

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of [1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone (CID 86985839) is [1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone is Cc1ccc(-n2cc(C(=O)N3CCOC(c4ccccc4)C3)nn2)cc1.
What is the InChIKey of [1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is SIPIBGSPDOMVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-7-9-17(10-8-15)24-13-18(21-22-24)20(25)23-11-12-26-19(14-23)16-5-3-2-4-6-16/h2-10,13,19H,11-12,14H2,1H3.
What are the key properties of [1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone?
[1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)triazol-4-yl]-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 86985839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).