4-[[4-(triazol-1-yl)phenyl]methyl]morpholine

C13H16N4O — CID 141342555

IUPAC4-[[4-(triazol-1-yl)phenyl]methyl]morpholine
SMILESc1cn(-c2ccc(CN3CCOCC3)cc2)nn1
InChIInChI=1S/C13H16N4O/c1-3-13(17-6-5-14-15-17)4-2-12(1)11-16-7-9-18-10-8-16/h1-6H,7-11H2
InChIKeyNZDKAOZWUAFHRQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.10
Rot. Bonds3

About 4-[[4-(triazol-1-yl)phenyl]methyl]morpholine

4-[[4-(triazol-1-yl)phenyl]methyl]morpholine (PubChem CID 141342555) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[[4-(triazol-1-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(triazol-1-yl)phenyl]methyl]morpholine
PubChem CID141342555
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[[4-(triazol-1-yl)phenyl]methyl]morpholine
SMILESc1cn(-c2ccc(CN3CCOCC3)cc2)nn1
InChIInChI=1S/C13H16N4O/c1-3-13(17-6-5-14-15-17)4-2-12(1)11-16-7-9-18-10-8-16/h1-6H,7-11H2
InChIKeyNZDKAOZWUAFHRQ-UHFFFAOYSA-N
XLogP1.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
CID 86786877
1-[[3-(triazol-1-yl)phenyl]methyl]piperazine
CID 117360477
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone
CID 141342527
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
CID 112631236
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(triazol-1-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(triazol-1-yl)phenyl]methyl]morpholine (CID 141342555) is 4-[[4-(triazol-1-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(triazol-1-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(triazol-1-yl)phenyl]methyl]morpholine is c1cn(-c2ccc(CN3CCOCC3)cc2)nn1.
What is the InChIKey of 4-[[4-(triazol-1-yl)phenyl]methyl]morpholine?
The InChIKey is NZDKAOZWUAFHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-13(17-6-5-14-15-17)4-2-12(1)11-16-7-9-18-10-8-16/h1-6H,7-11H2.
What are the key properties of 4-[[4-(triazol-1-yl)phenyl]methyl]morpholine?
4-[[4-(triazol-1-yl)phenyl]methyl]morpholine has a molecular weight of 244.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(triazol-1-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 141342555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).