3-ethoxy-4-methyl-1,2,4-triazole

C5H9N3O — CID 54201153

IUPAC3-ethoxy-4-methyl-1,2,4-triazole
SMILESCCOc1nncn1C
InChIInChI=1S/C5H9N3O/c1-3-9-5-7-6-4-8(5)2/h4H,3H2,1-2H3
InChIKeyJHVUVQKBZADDFB-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.21
Rot. Bonds2

About 3-ethoxy-4-methyl-1,2,4-triazole

3-ethoxy-4-methyl-1,2,4-triazole (PubChem CID 54201153) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethoxy-4-methyl-1,2,4-triazole
PubChem CID54201153
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name3-ethoxy-4-methyl-1,2,4-triazole
SMILESCCOc1nncn1C
InChIInChI=1S/C5H9N3O/c1-3-9-5-7-6-4-8(5)2/h4H,3H2,1-2H3
InChIKeyJHVUVQKBZADDFB-UHFFFAOYSA-N
XLogP0.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethoxy-1,2,4-triazole
CID 91228709
3-Methoxy-4-methyl-1,2,4-triazole
CID 23279305
1-Methyl-3-(2,2,2-trifluoroethoxy)-1,2,4-triazole
CID 152226257
5-chloro-1-(ethoxymethyl)-1H-1,2,4-triazole
CID 110205620
1-Ethoxymethyl-1,2,4-triazole
CID 3823094
4-(2-Ethoxyethyl)-4H-1,2,4-triazole
CID 12888394
4-(3-Methoxypropyl)-1,2,4-triazole
CID 12888415
4-Ethoxy-1,2,4-triazole
CID 18946583
1-(Butoxymethyl)-1,2,4-triazole
CID 20581916
Ethane;4-methyl-1,2,4-triazole
CID 53930021
4-(Methoxymethyl)-1,2,4-triazole
CID 57102557
3-(2-Methoxyethoxy)-1-methyl-1,2,4-triazole
CID 67757502

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyl-1,2,4-triazole?
The IUPAC name of 3-ethoxy-4-methyl-1,2,4-triazole (CID 54201153) is 3-ethoxy-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-ethoxy-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-ethoxy-4-methyl-1,2,4-triazole is CCOc1nncn1C.
What is the InChIKey of 3-ethoxy-4-methyl-1,2,4-triazole?
The InChIKey is JHVUVQKBZADDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-9-5-7-6-4-8(5)2/h4H,3H2,1-2H3.
What are the key properties of 3-ethoxy-4-methyl-1,2,4-triazole?
3-ethoxy-4-methyl-1,2,4-triazole has a molecular weight of 127.15 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-1,2,4-triazole is sourced from PubChem (CID 54201153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).