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

C10H18N4O2 — CID 166210815

IUPAC5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCC1OCCN(Cc2nn(C)c(=O)[nH]2)C1C
InChIInChI=1S/C10H18N4O2/c1-7-8(2)16-5-4-14(7)6-9-11-10(15)13(3)12-9/h7-8H,4-6H2,1-3H3,(H,11,12,15)
InChIKeyBKNILJBVNALHTN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.28
Rot. Bonds2

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

5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one (PubChem CID 166210815) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
PubChem CID166210815
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCC1OCCN(Cc2nn(C)c(=O)[nH]2)C1C
InChIInChI=1S/C10H18N4O2/c1-7-8(2)16-5-4-14(7)6-9-11-10(15)13(3)12-9/h7-8H,4-6H2,1-3H3,(H,11,12,15)
InChIKeyBKNILJBVNALHTN-UHFFFAOYSA-N
XLogP-0.28
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-3-methyl-N-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 137933652
2-(2-Propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273411
2-[(4-Propan-2-ylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66274044
2-[(4-Methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 79182250
2-[(4-Ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 79182335
2-(2-Methoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 104170873
2-(2-Propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 106459736
2-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 112592495
2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126835185
2,4-Dimethyl-5-morpholin-3-yl-1,2,4-triazol-3-one
CID 130707377
3-(4-Propan-2-ylmorpholin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136294570
5-[(2-cyclopropyl-6-methylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 137193841

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one (CID 166210815) is 5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one is CC1OCCN(Cc2nn(C)c(=O)[nH]2)C1C.
What is the InChIKey of 5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is BKNILJBVNALHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7-8(2)16-5-4-14(7)6-9-11-10(15)13(3)12-9/h7-8H,4-6H2,1-3H3,(H,11,12,15).
What are the key properties of 5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one?
5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 226.28 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylmorpholin-4-yl)methyl]-2-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 166210815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).