(2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine

C16H22N4O4 — CID 97204026

IUPAC(2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine
SMILESCOc1cc(OC)c(-c2cn(C[C@H]3CNCCO3)nn2)c(OC)c1
InChIInChI=1S/C16H22N4O4/c1-21-11-6-14(22-2)16(15(7-11)23-3)13-10-20(19-18-13)9-12-8-17-4-5-24-12/h6-7,10,12,17H,4-5,8-9H2,1-3H3/t12-/m1/s1
InChIKeyKUEMBACKAKVVDP-GFCCVEGCSA-N
MW334.38 g/mol
LogP0.96
Rot. Bonds6

About (2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine

(2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine (PubChem CID 97204026) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine
PubChem CID97204026
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name(2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine
SMILESCOc1cc(OC)c(-c2cn(C[C@H]3CNCCO3)nn2)c(OC)c1
InChIInChI=1S/C16H22N4O4/c1-21-11-6-14(22-2)16(15(7-11)23-3)13-10-20(19-18-13)9-12-8-17-4-5-24-12/h6-7,10,12,17H,4-5,8-9H2,1-3H3/t12-/m1/s1
InChIKeyKUEMBACKAKVVDP-GFCCVEGCSA-N
XLogP0.96
TPSA79.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine
CID 72846054
(2S)-2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine
CID 97188510
2-[(4-methoxypyrazol-1-yl)methyl]morpholine
CID 130511290
2-[(4-chloropyrazol-1-yl)methyl]morpholine
CID 64535065
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
2-(1-ethyltriazol-4-yl)morpholine
CID 84768759
2,5-dimethoxy-4-methyl-N-(morpholin-2-ylmethyl)aniline
CID 115237476
2-[(2,5-difluoro-4-methoxyphenyl)methyl]morpholine
CID 67073211
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 82892741
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
(2S)-2-(tetrazol-2-ylmethyl)morpholine
CID 141231933
4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride
CID 70130204

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine?
The IUPAC name of (2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine (CID 97204026) is (2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine.
What is the SMILES notation for (2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine?
The canonical SMILES for (2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine is COc1cc(OC)c(-c2cn(C[C@H]3CNCCO3)nn2)c(OC)c1.
What is the InChIKey of (2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine?
The InChIKey is KUEMBACKAKVVDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-21-11-6-14(22-2)16(15(7-11)23-3)13-10-20(19-18-13)9-12-8-17-4-5-24-12/h6-7,10,12,17H,4-5,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine?
(2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine has a molecular weight of 334.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2,4,6-trimethoxyphenyl)triazol-1-yl]methyl]morpholine is sourced from PubChem (CID 97204026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).