3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole

C9H17N3O2 — CID 115393769

IUPAC3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCCOCCc1nncn1CCOC
InChIInChI=1S/C9H17N3O2/c1-3-14-6-4-9-11-10-8-12(9)5-7-13-2/h8H,3-7H2,1-2H3
InChIKeyJSSHXFSNJDTFPV-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.50
Rot. Bonds7

About 3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole

3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 115393769) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID115393769
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCCOCCc1nncn1CCOC
InChIInChI=1S/C9H17N3O2/c1-3-14-6-4-9-11-10-8-12(9)5-7-13-2/h8H,3-7H2,1-2H3
InChIKeyJSSHXFSNJDTFPV-UHFFFAOYSA-N
XLogP0.50
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
3-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,2,4-triazole
CID 103213666
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
3-[(4-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393752
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
ethyl 4-(2-methoxyethyl)-1,2,4-triazole-3-carboxylate
CID 63356235
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157016114
3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154569316
1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 98013965

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole (CID 115393769) is 3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole is CCOCCc1nncn1CCOC.
What is the InChIKey of 3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is JSSHXFSNJDTFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-14-6-4-9-11-10-8-12(9)5-7-13-2/h8H,3-7H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole?
3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 199.25 g/mol, XLogP of 0.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 115393769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).