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

C7H13N3O — CID 115393588

IUPAC3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCCc1nncn1CCOC
InChIInChI=1S/C7H13N3O/c1-3-7-9-8-6-10(7)4-5-11-2/h6H,3-5H2,1-2H3
InChIKeyJYTYEDSKGCZQJK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.49
Rot. Bonds4

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

3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 115393588) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID115393588
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCCc1nncn1CCOC
InChIInChI=1S/C7H13N3O/c1-3-7-9-8-6-10(7)4-5-11-2/h6H,3-5H2,1-2H3
InChIKeyJYTYEDSKGCZQJK-UHFFFAOYSA-N
XLogP0.49
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393769
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
3-[(4-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393752
1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 98013965
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(3-methoxypropyl)-2-(2-methylpropyl)guanidine
CID 111494748
4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62711244
3-[(3-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300974
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115725055

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole (CID 115393588) is 3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole is CCc1nncn1CCOC.
What is the InChIKey of 3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is JYTYEDSKGCZQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-7-9-8-6-10(7)4-5-11-2/h6H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole?
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 155.20 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 115393588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).