[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone

C20H20N4O2 — CID 71866643

IUPAC[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone
SMILESCc1nc(-c2ccc(C(=O)N3CCOCC3c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C20H20N4O2/c1-14-21-19(23-22-14)16-7-9-17(10-8-16)20(25)24-11-12-26-13-18(24)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,22,23)
InChIKeyLRSYFKBIVZYRKS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.99
Rot. Bonds3

About [4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone

[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone (PubChem CID 71866643) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone
PubChem CID71866643
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone
SMILESCc1nc(-c2ccc(C(=O)N3CCOCC3c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C20H20N4O2/c1-14-21-19(23-22-14)16-7-9-17(10-8-16)20(25)24-11-12-26-13-18(24)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,22,23)
InChIKeyLRSYFKBIVZYRKS-UHFFFAOYSA-N
XLogP2.99
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
(3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 167986271
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-(4-methylphenyl)morpholin-4-yl]methanone
CID 175509214
4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140093
2-methyl-4-[4-(2-methyl-1-benzofuran-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844612
N-(4-acetylphenyl)-3-phenylmorpholine-4-carboxamide
CID 84525724
4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide
CID 95909105
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
[(3S)-3-phenylmorpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
CID 178095206
(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132375
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119337230
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone?
The IUPAC name of [4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone (CID 71866643) is [4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone is Cc1nc(-c2ccc(C(=O)N3CCOCC3c3ccccc3)cc2)n[nH]1.
What is the InChIKey of [4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone?
The InChIKey is LRSYFKBIVZYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-21-19(23-22-14)16-7-9-17(10-8-16)20(25)24-11-12-26-13-18(24)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,22,23).
What are the key properties of [4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone?
[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 71866643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).