4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one

C9H16N4O2 — CID 115773650

IUPAC4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one
SMILESCn1cnn(CCN2CCOCC2)c1=O
InChIInChI=1S/C9H16N4O2/c1-11-8-10-13(9(11)14)3-2-12-4-6-15-7-5-12/h8H,2-7H2,1H3
InChIKeyACGQTWBGOWUWKF-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.09
Rot. Bonds3

About 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one

4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one (PubChem CID 115773650) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one
PubChem CID115773650
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one
SMILESCn1cnn(CCN2CCOCC2)c1=O
InChIInChI=1S/C9H16N4O2/c1-11-8-10-13(9(11)14)3-2-12-4-6-15-7-5-12/h8H,2-7H2,1H3
InChIKeyACGQTWBGOWUWKF-UHFFFAOYSA-N
XLogP-1.09
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one with MolForge

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Related Compounds

2-butyl-4-methyl-1,2,4-triazol-3-one
CID 115774482
2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 146088030
4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one
CID 116626772
5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol
CID 117233213
2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one
CID 21484998
4-methyl-2-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one
CID 115773684
4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
CID 117233224
1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 736564
5-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxylic acid
CID 18765419
4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethyl]morpholine
CID 117233214
4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine
CID 71019550
2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 59225842

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one (CID 115773650) is 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one is Cn1cnn(CCN2CCOCC2)c1=O.
What is the InChIKey of 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one?
The InChIKey is ACGQTWBGOWUWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-11-8-10-13(9(11)14)3-2-12-4-6-15-7-5-12/h8H,2-7H2,1H3.
What are the key properties of 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one?
4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one has a molecular weight of 212.25 g/mol, XLogP of -1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 115773650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).