[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone

C15H18N4O2 — CID 50849333

IUPAC[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(-n2nc(C)c(C(=O)N3CCOCC3)n2)c1
InChIInChI=1S/C15H18N4O2/c1-11-4-3-5-13(10-11)19-16-12(2)14(17-19)15(20)18-6-8-21-9-7-18/h3-5,10H,6-9H2,1-2H3
InChIKeyUILSLILPIHORCG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.36
Rot. Bonds2

About [5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone

[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 50849333) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
PubChem CID50849333
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(-n2nc(C)c(C(=O)N3CCOCC3)n2)c1
InChIInChI=1S/C15H18N4O2/c1-11-4-3-5-13(10-11)19-16-12(2)14(17-19)15(20)18-6-8-21-9-7-18/h3-5,10H,6-9H2,1-2H3
InChIKeyUILSLILPIHORCG-UHFFFAOYSA-N
XLogP1.36
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
[2-(3-chlorophenyl)-5-methyltriazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
CID 35021738
1-[4-[2-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 78827860
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
CID 109103768
(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
CID 30752856
1-(5-methyl-2-phenyltriazol-4-yl)-2-morpholin-4-ylpropan-1-one
CID 70549056
[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-chlorophenyl)-5-methyltriazol-4-yl]methanone;hydrochloride
CID 119934382
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120
2-[4-[2-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858900
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 46684636
[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone (CID 50849333) is [5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone is Cc1cccc(-n2nc(C)c(C(=O)N3CCOCC3)n2)c1.
What is the InChIKey of [5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is UILSLILPIHORCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-4-3-5-13(10-11)19-16-12(2)14(17-19)15(20)18-6-8-21-9-7-18/h3-5,10H,6-9H2,1-2H3.
What are the key properties of [5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone?
[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 286.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50849333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).