4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine

C16H22N4O2 — CID 157011278

IUPAC4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine
SMILESCOCc1nc(-c2cccc(CN3CCOCC3)c2)nn1C
InChIInChI=1S/C16H22N4O2/c1-19-15(12-21-2)17-16(18-19)14-5-3-4-13(10-14)11-20-6-8-22-9-7-20/h3-5,10H,6-9,11-12H2,1-2H3
InChIKeyDHAFJRSJBGHUDG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.46
Rot. Bonds5

About 4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine

4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine (PubChem CID 157011278) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine
PubChem CID157011278
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine
SMILESCOCc1nc(-c2cccc(CN3CCOCC3)c2)nn1C
InChIInChI=1S/C16H22N4O2/c1-19-15(12-21-2)17-16(18-19)14-5-3-4-13(10-14)11-20-6-8-22-9-7-20/h3-5,10H,6-9,11-12H2,1-2H3
InChIKeyDHAFJRSJBGHUDG-UHFFFAOYSA-N
XLogP1.46
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 50962081
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[3-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 11031409
4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840405
N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide
CID 163308243
4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine
CID 173109854
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
4-[[3-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840307
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine (CID 157011278) is 4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine is COCc1nc(-c2cccc(CN3CCOCC3)c2)nn1C.
What is the InChIKey of 4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine?
The InChIKey is DHAFJRSJBGHUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19-15(12-21-2)17-16(18-19)14-5-3-4-13(10-14)11-20-6-8-22-9-7-20/h3-5,10H,6-9,11-12H2,1-2H3.
What are the key properties of 4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine?
4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine has a molecular weight of 302.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 157011278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).