4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one

C5H9N3O2 — CID 23358473

IUPAC4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one
SMILESCCn1c(OC)n[nH]c1=O
InChIInChI=1S/C5H9N3O2/c1-3-8-4(9)6-7-5(8)10-2/h3H2,1-2H3,(H,6,9)
InChIKeyAKBLJPROAMZZDR-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.40
Rot. Bonds2

About 4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one

4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one (PubChem CID 23358473) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one
PubChem CID23358473
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one
SMILESCCn1c(OC)n[nH]c1=O
InChIInChI=1S/C5H9N3O2/c1-3-8-4(9)6-7-5(8)10-2/h3H2,1-2H3,(H,6,9)
InChIKeyAKBLJPROAMZZDR-UHFFFAOYSA-N
XLogP-0.40
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-4-ethyl-1H-1,2,4-triazol-5-one
CID 23295718
3H-1,2,4-Triazol-3-one, 2,4-diethyl-2,4-dihydro-5-methoxy-
CID 593554
4-Ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one
CID 18737983
3-bromo-4-ethyl-1H-1,2,4-triazol-5-one
CID 18947667
4-ethyl-4H-1,2,4-triazol-3-ol
CID 19919696
4-ethyl-3-propan-2-yloxy-1H-1,2,4-triazol-5-one
CID 19973521
3-ethoxy-4-ethyl-1H-1,2,4-triazol-5-one
CID 21249847
4-cyclopropyl-3-methoxy-1H-1,2,4-triazol-5-one
CID 21933515
4-Ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide
CID 22278482
5-Chloro-4-ethyl-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 23448663
4-propyl-1H-1,2,4-triazol-5-one
CID 53710292
3-bromo-4-(2-methoxyethyl)-1H-1,2,4-triazol-5-one
CID 58011779

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one (CID 23358473) is 4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one is CCn1c(OC)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one?
The InChIKey is AKBLJPROAMZZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3-8-4(9)6-7-5(8)10-2/h3H2,1-2H3,(H,6,9).
What are the key properties of 4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one?
4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one has a molecular weight of 143.15 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 23358473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).