[2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone

C19H26N4O2 — CID 50961022

IUPAC[2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(-n2nc(CC(C)C)nc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H26N4O2/c1-13(2)11-17-20-18(19(24)22-7-9-25-10-8-22)23(21-17)16-12-14(3)5-6-15(16)4/h5-6,12-13H,7-11H2,1-4H3
InChIKeyHFNUGUCACLRVBH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.56
Rot. Bonds4

About [2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone

[2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 50961022) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
PubChem CID50961022
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(-n2nc(CC(C)C)nc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H26N4O2/c1-13(2)11-17-20-18(19(24)22-7-9-25-10-8-22)23(21-17)16-12-14(3)5-6-15(16)4/h5-6,12-13H,7-11H2,1-4H3
InChIKeyHFNUGUCACLRVBH-UHFFFAOYSA-N
XLogP2.56
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361395
[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110373271
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
N,N-diethyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096024
1-(2,5-dimethylphenyl)-4-ethyl-5-oxo-1,2,4-triazole-3-carboxylic acid
CID 82484998
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(morpholine-4-carbonyl)benzamide
CID 91838615
N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide
CID 141114956

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone (CID 50961022) is [2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone is Cc1ccc(C)c(-n2nc(CC(C)C)nc2C(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is HFNUGUCACLRVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)11-17-20-18(19(24)22-7-9-25-10-8-22)23(21-17)16-12-14(3)5-6-15(16)4/h5-6,12-13H,7-11H2,1-4H3.
What are the key properties of [2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone?
[2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 342.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50961022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).