4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine

C9H16N4O — CID 3585966

IUPAC4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(N2CCOCC2)nn1C
InChIInChI=1S/C9H16N4O/c1-3-8-10-9(11-12(8)2)13-4-6-14-7-5-13/h3-7H2,1-2H3
InChIKeyVYZQZMPRIVTXQZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.21
Rot. Bonds2

About 4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine

4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 3585966) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID3585966
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(N2CCOCC2)nn1C
InChIInChI=1S/C9H16N4O/c1-3-8-10-9(11-12(8)2)13-4-6-14-7-5-13/h3-7H2,1-2H3
InChIKeyVYZQZMPRIVTXQZ-UHFFFAOYSA-N
XLogP0.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71878548
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
CID 72141688
3,5-Dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole
CID 84600856
4-[(2S)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621331
N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 164636521
4-[4-[5-Methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 72855250
1-[2-[5-(2-Methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
CID 72877547
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
CID 95750736
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
CID 95750737
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-1-(3-fluoropropyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 109863009
4-[(2R)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621332
4-[4-[2-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 131936996

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine (CID 3585966) is 4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine is CCc1nc(N2CCOCC2)nn1C.
What is the InChIKey of 4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is VYZQZMPRIVTXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-8-10-9(11-12(8)2)13-4-6-14-7-5-13/h3-7H2,1-2H3.
What are the key properties of 4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine?
4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 196.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 3585966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).