1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole

C8H15N3O — CID 168904390

IUPAC1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole
SMILESCOCCn1cnc(C(C)C)n1
InChIInChI=1S/C8H15N3O/c1-7(2)8-9-6-11(10-8)4-5-12-3/h6-7H,4-5H2,1-3H3
InChIKeyRDBHBUMRIBZYQG-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.05
Rot. Bonds4

About 1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole

1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole (PubChem CID 168904390) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole
PubChem CID168904390
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole
SMILESCOCCn1cnc(C(C)C)n1
InChIInChI=1S/C8H15N3O/c1-7(2)8-9-6-11(10-8)4-5-12-3/h6-7H,4-5H2,1-3H3
InChIKeyRDBHBUMRIBZYQG-UHFFFAOYSA-N
XLogP1.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dicyclopropyl-1-(2-ethoxyethyl)-1,2,4-triazole
CID 84600856
Ethane;5-methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 157031096
5-Methyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 157031097
5-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 166500038
1-[2-(Difluoromethoxy)ethyl]-5-propan-2-yl-1,2,4-triazole
CID 166500553
1-[(2,2-Difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole
CID 166825437
5-Ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 170028031
1-[(2S)-3-methoxybutan-2-yl]-3-(trifluoromethyl)-1,2,4-triazole
CID 173929904
1-(2,2-Difluoroethyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole
CID 178822915
4-(2-Methylpropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
CID 103213670
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 103311297
4-(2-Methoxyethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 115393536

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole (CID 168904390) is 1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole is COCCn1cnc(C(C)C)n1.
What is the InChIKey of 1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole?
The InChIKey is RDBHBUMRIBZYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(2)8-9-6-11(10-8)4-5-12-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole?
1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole has a molecular weight of 169.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 168904390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).