3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one

C6H11N3O2 — CID 134470220

IUPAC3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCOC(C)c1n[nH]c(=O)n1C
InChIInChI=1S/C6H11N3O2/c1-4(11-3)5-7-8-6(10)9(5)2/h4H,1-3H3,(H,8,10)
InChIKeyZWGQOPTZHXMOSP-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.18
Rot. Bonds2

About 3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one

3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 134470220) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID134470220
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCOC(C)c1n[nH]c(=O)n1C
InChIInChI=1S/C6H11N3O2/c1-4(11-3)5-7-8-6(10)9(5)2/h4H,1-3H3,(H,8,10)
InChIKeyZWGQOPTZHXMOSP-UHFFFAOYSA-N
XLogP-0.18
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 68235624
5-(1-ethoxypropyl)-4-isopropyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50983509
3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 14349660
4-Ethyl-5-methoxymethyl-2,4-dihydro[1,2,4]triazol-3-one
CID 57927262
3-(methoxymethyl)-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 59296989
4-methyl-3-(oxiran-2-yl)-1H-1,2,4-triazol-5-one
CID 89007126
3-[(1S)-1-hydroxyethyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 97178555
5-(1-Hydroxyethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 130113440
3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 134470296
3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 143166742
4-Ethyl-3-(1-hydroxyethyl)-1H-1,2,4-triazol-5(4H)-one
CID 45083224
5-(1-isopropoxyethyl)-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50971675

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one (CID 134470220) is 3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one is COC(C)c1n[nH]c(=O)n1C.
What is the InChIKey of 3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is ZWGQOPTZHXMOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4(11-3)5-7-8-6(10)9(5)2/h4H,1-3H3,(H,8,10).
What are the key properties of 3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one?
3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 157.17 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 134470220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).