5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one

C12H20N4O2 — CID 137193841

IUPAC5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCC1CN(Cc2nn(C)c(=O)[nH]2)CC(C2CC2)O1
InChIInChI=1S/C12H20N4O2/c1-8-5-16(6-10(18-8)9-3-4-9)7-11-13-12(17)15(2)14-11/h8-10H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyZAOYMEYUICGTEW-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.11
Rot. Bonds3

About 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one

5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one (PubChem CID 137193841) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
PubChem CID137193841
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCC1CN(Cc2nn(C)c(=O)[nH]2)CC(C2CC2)O1
InChIInChI=1S/C12H20N4O2/c1-8-5-16(6-10(18-8)9-3-4-9)7-11-13-12(17)15(2)14-11/h8-10H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyZAOYMEYUICGTEW-UHFFFAOYSA-N
XLogP0.11
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 136590629
5-{[rel-(2R,6S)-2-butyl-6-isopropyl-4-morpholinyl]carbonyl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 157013538
5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 166210815
3-[1-[2-(2-Methylmorpholin-4-yl)ethyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 167765154

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one (CID 137193841) is 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one is CC1CN(Cc2nn(C)c(=O)[nH]2)CC(C2CC2)O1.
What is the InChIKey of 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is ZAOYMEYUICGTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-5-16(6-10(18-8)9-3-4-9)7-11-13-12(17)15(2)14-11/h8-10H,3-7H2,1-2H3,(H,13,14,17).
What are the key properties of 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 252.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 137193841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).