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

C8H15N3O — CID 115393557

IUPAC4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
SMILESCCCc1nncn1CCOC
InChIInChI=1S/C8H15N3O/c1-3-4-8-10-9-7-11(8)5-6-12-2/h7H,3-6H2,1-2H3
InChIKeyRASGBKIMEDCYNE-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.88
Rot. Bonds5

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

4-(2-methoxyethyl)-3-propyl-1,2,4-triazole (PubChem CID 115393557) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-propyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
PubChem CID115393557
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
SMILESCCCc1nncn1CCOC
InChIInChI=1S/C8H15N3O/c1-3-4-8-10-9-7-11(8)5-6-12-2/h7H,3-6H2,1-2H3
InChIKeyRASGBKIMEDCYNE-UHFFFAOYSA-N
XLogP0.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
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
4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
CID 115393656
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477
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
3-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,2,4-triazole
CID 103213666

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-propyl-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-propyl-1,2,4-triazole (CID 115393557) is 4-(2-methoxyethyl)-3-propyl-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-propyl-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-propyl-1,2,4-triazole is CCCc1nncn1CCOC.
What is the InChIKey of 4-(2-methoxyethyl)-3-propyl-1,2,4-triazole?
The InChIKey is RASGBKIMEDCYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-4-8-10-9-7-11(8)5-6-12-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-3-propyl-1,2,4-triazole?
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole has a molecular weight of 169.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-propyl-1,2,4-triazole is sourced from PubChem (CID 115393557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).