4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine

C20H28N4O — CID 95126549

IUPAC4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine
SMILESCC[C@@H](c1nc(C2CC2)nn1-c1ccc(C)c(C)c1)N1CCOCC1
InChIInChI=1S/C20H28N4O/c1-4-18(23-9-11-25-12-10-23)20-21-19(16-6-7-16)22-24(20)17-8-5-14(2)15(3)13-17/h5,8,13,16,18H,4,6-7,9-12H2,1-3H3/t18-/m0/s1
InChIKeyLZTSPFCTFSPOEL-SFHVURJKSA-N
MW340.47 g/mol
LogP3.54
Rot. Bonds5

About 4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine

4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine (PubChem CID 95126549) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine
PubChem CID95126549
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine
SMILESCC[C@@H](c1nc(C2CC2)nn1-c1ccc(C)c(C)c1)N1CCOCC1
InChIInChI=1S/C20H28N4O/c1-4-18(23-9-11-25-12-10-23)20-21-19(16-6-7-16)22-24(20)17-8-5-14(2)15(3)13-17/h5,8,13,16,18H,4,6-7,9-12H2,1-3H3/t18-/m0/s1
InChIKeyLZTSPFCTFSPOEL-SFHVURJKSA-N
XLogP3.54
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-1-(3,4-dimethylphenyl)-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole
CID 50974074
1-(1,3-benzodioxol-5-yl)-3-cyclopropyl-5-[(1R)-1-ethylsulfonylethyl]-1,2,4-triazole
CID 95137669
2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine
CID 50976888
(2S)-2-[[2-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylmorpholine
CID 95125634
[1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 82478670
6-chloro-2-cyclopropyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
CID 133432547
[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110373271
4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine
CID 70837403
2-[5-cyclopropyl-1-(3,4-dimethylphenyl)pyrazol-3-yl]acetonitrile
CID 82087736
4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine
CID 72936138
3-(3-bromo-4-methylphenyl)-3-morpholin-4-ylpropanoic acid
CID 105403444
3-cyclopropyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2,4-oxadiazol-5-amine
CID 95772861

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
The IUPAC name of 4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine (CID 95126549) is 4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
The canonical SMILES for 4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine is CC[C@@H](c1nc(C2CC2)nn1-c1ccc(C)c(C)c1)N1CCOCC1.
What is the InChIKey of 4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
The InChIKey is LZTSPFCTFSPOEL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-18(23-9-11-25-12-10-23)20-21-19(16-6-7-16)22-24(20)17-8-5-14(2)15(3)13-17/h5,8,13,16,18H,4,6-7,9-12H2,1-3H3/t18-/m0/s1.
What are the key properties of 4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine?
4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine has a molecular weight of 340.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine is sourced from PubChem (CID 95126549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).