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

C14H18N4O2 — CID 141410963

IUPAC4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine
SMILESCOc1ccc(Cn2ncnc2N2CCOCC2)cc1
InChIInChI=1S/C14H18N4O2/c1-19-13-4-2-12(3-5-13)10-18-14(15-11-16-18)17-6-8-20-9-7-17/h2-5,11H,6-10H2,1H3
InChIKeyBVILQPGOZOZNFU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.17
Rot. Bonds4

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

4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine (PubChem CID 141410963) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine
PubChem CID141410963
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine
SMILESCOc1ccc(Cn2ncnc2N2CCOCC2)cc1
InChIInChI=1S/C14H18N4O2/c1-19-13-4-2-12(3-5-13)10-18-14(15-11-16-18)17-6-8-20-9-7-17/h2-5,11H,6-10H2,1H3
InChIKeyBVILQPGOZOZNFU-UHFFFAOYSA-N
XLogP1.17
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-benzyl-9-[(4-methoxyphenyl)methyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1,4(12),5,7-tetraen-6-yl]morpholine
CID 59506517
4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one
CID 152510710
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 122652220
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886567
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine
CID 74240471
4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
CID 162348657
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
CID 67042011
4-[1-[(3-methoxyphenyl)methyl]tetrazol-5-yl]-1,4-oxazepane
CID 136569391
(6S)-2-[(4-methoxyphenyl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494777

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine (CID 141410963) is 4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine is COc1ccc(Cn2ncnc2N2CCOCC2)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine?
The InChIKey is BVILQPGOZOZNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-13-4-2-12(3-5-13)10-18-14(15-11-16-18)17-6-8-20-9-7-17/h2-5,11H,6-10H2,1H3.
What are the key properties of 4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine?
4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine has a molecular weight of 274.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 141410963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).