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

C15H20N4O2 — CID 97201377

IUPAC(3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCOc1cccc(Cn2ncnc2C[C@H]2COCCN2)c1
InChIInChI=1S/C15H20N4O2/c1-20-14-4-2-3-12(7-14)9-19-15(17-11-18-19)8-13-10-21-6-5-16-13/h2-4,7,11,13,16H,5-6,8-10H2,1H3/t13-/m0/s1
InChIKeyKRBUVJGVIUUFQZ-ZDUSSCGKSA-N
MW288.35 g/mol
LogP0.87
Rot. Bonds5

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

(3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 97201377) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID97201377
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCOc1cccc(Cn2ncnc2C[C@H]2COCCN2)c1
InChIInChI=1S/C15H20N4O2/c1-20-14-4-2-3-12(7-14)9-19-15(17-11-18-19)8-13-10-21-6-5-16-13/h2-4,7,11,13,16H,5-6,8-10H2,1H3/t13-/m0/s1
InChIKeyKRBUVJGVIUUFQZ-ZDUSSCGKSA-N
XLogP0.87
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238155
2-(3-methoxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)ethanamine
CID 115238192
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95714397
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
CID 117034352
3-[(3-pyridin-2-ylphenyl)methyl]morpholine
CID 118936323
3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
CID 104704090
3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 112741025
(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride
CID 118936174
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 155983978

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of (3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 97201377) is (3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for (3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for (3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine is COc1cccc(Cn2ncnc2C[C@H]2COCCN2)c1.
What is the InChIKey of (3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is KRBUVJGVIUUFQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-20-14-4-2-3-12(7-14)9-19-15(17-11-18-19)8-13-10-21-6-5-16-13/h2-4,7,11,13,16H,5-6,8-10H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine?
(3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 288.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 97201377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).