4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine

C15H20N4O — CID 126434299

IUPAC4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
SMILESC[C@@H](c1ccc(-c2ncn(C)n2)cc1)N1CCOCC1
InChIInChI=1S/C15H20N4O/c1-12(19-7-9-20-10-8-19)13-3-5-14(6-4-13)15-16-11-18(2)17-15/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1
InChIKeyNASUDJIRMLEVDT-LBPRGKRZSA-N
MW272.35 g/mol
LogP1.88
Rot. Bonds3

About 4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine

4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine (PubChem CID 126434299) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
PubChem CID126434299
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
SMILESC[C@@H](c1ccc(-c2ncn(C)n2)cc1)N1CCOCC1
InChIInChI=1S/C15H20N4O/c1-12(19-7-9-20-10-8-19)13-3-5-14(6-4-13)15-16-11-18(2)17-15/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1
InChIKeyNASUDJIRMLEVDT-LBPRGKRZSA-N
XLogP1.88
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126444550
4-[(1R)-1-[4-(6-methylpyrazino[2,3-b]pyrazin-2-yl)phenyl]ethyl]morpholine
CID 126441384
4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
CID 126433720
N-[5-[4-(1-morpholin-4-ylethyl)phenyl]-2-pyridinyl]acetamide
CID 50976257
4-[1-[4-(4,5-dimethylpyridazin-3-yl)phenyl]ethyl]morpholine
CID 163314713
4-[(1R)-1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)phenyl]ethyl]morpholine
CID 126445943
6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122563480

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine?
The IUPAC name of 4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine (CID 126434299) is 4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine?
The canonical SMILES for 4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine is C[C@@H](c1ccc(-c2ncn(C)n2)cc1)N1CCOCC1.
What is the InChIKey of 4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine?
The InChIKey is NASUDJIRMLEVDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(19-7-9-20-10-8-19)13-3-5-14(6-4-13)15-16-11-18(2)17-15/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine?
4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine has a molecular weight of 272.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine is sourced from PubChem (CID 126434299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).