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

C7H13N3O2 — CID 18737984

IUPAC5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCOCCc1nn(C)c(=O)n1C
InChIInChI=1S/C7H13N3O2/c1-9-6(4-5-12-3)8-10(2)7(9)11/h4-5H2,1-3H3
InChIKeyNTLXXZPXPPJQHW-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.69
Rot. Bonds3

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

5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one (PubChem CID 18737984) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one
PubChem CID18737984
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCOCCc1nn(C)c(=O)n1C
InChIInChI=1S/C7H13N3O2/c1-9-6(4-5-12-3)8-10(2)7(9)11/h4-5H2,1-3H3
InChIKeyNTLXXZPXPPJQHW-UHFFFAOYSA-N
XLogP-0.69
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dimethyl-5-propyl-1,2,4-triazol-3-one
CID 18737969
4-Ethoxy-5-ethyl-2-methyl-1,2,4-triazol-3-one
CID 18737981
5-Ethyl-2,4-dimethyl-1,2,4-triazol-3-one
CID 18737990
2,4-Dimethyl-5-(2-propan-2-yloxyethyl)-1,2,4-triazol-3-one
CID 22973893
2,4-Dimethyl-5-(2-propoxyethyl)-1,2,4-triazol-3-one
CID 89359903
3-(2-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 143166742
5-(2-Hydroxypropyl)-2,4-dimethyl-1,2,4-triazol-3-one
CID 178109070

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one (CID 18737984) is 5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one is COCCc1nn(C)c(=O)n1C.
What is the InChIKey of 5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
The InChIKey is NTLXXZPXPPJQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-9-6(4-5-12-3)8-10(2)7(9)11/h4-5H2,1-3H3.
What are the key properties of 5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one?
5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one has a molecular weight of 171.20 g/mol, XLogP of -0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-2,4-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 18737984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).