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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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).