4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine

C12H22N4O — CID 141027534

IUPAC4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine
SMILESCCCC1COCCN1CCn1ncnc1C
InChIInChI=1S/C12H22N4O/c1-3-4-12-9-17-8-7-15(12)5-6-16-11(2)13-10-14-16/h10,12H,3-9H2,1-2H3
InChIKeyFGVPXNZIVDOWCT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.09
Rot. Bonds5

About 4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine

4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine (PubChem CID 141027534) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine.

Molecular Properties

Compound Name4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine
PubChem CID141027534
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine
SMILESCCCC1COCCN1CCn1ncnc1C
InChIInChI=1S/C12H22N4O/c1-3-4-12-9-17-8-7-15(12)5-6-16-11(2)13-10-14-16/h10,12H,3-9H2,1-2H3
InChIKeyFGVPXNZIVDOWCT-UHFFFAOYSA-N
XLogP1.09
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 50953849
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-(oxan-2-ylmethyl)piperidine
CID 53596659
2-Ethyl-1-(2-methoxyethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 53610285
3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole
CID 124751746
4-[[(3S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]morpholine
CID 124872517
(2S)-2-(2-methoxyethyl)-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129619466
4-[(2S)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621331
(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 164635083
4-(5-Ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine
CID 3585966
4-[4-[5-Methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 72855250
(2R,6R)-4-[[(2R)-1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 100698372
(2R,6R)-4-[[(2S)-1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 100698383

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine?
The IUPAC name of 4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine (CID 141027534) is 4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine.
What is the SMILES notation for 4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine?
The canonical SMILES for 4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine is CCCC1COCCN1CCn1ncnc1C.
What is the InChIKey of 4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine?
The InChIKey is FGVPXNZIVDOWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-12-9-17-8-7-15(12)5-6-16-11(2)13-10-14-16/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine?
4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine has a molecular weight of 238.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine is sourced from PubChem (CID 141027534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).