1-(butan-2-yloxymethyl)-1,2,4-triazole

C7H13N3O — CID 70453173

IUPAC1-(butan-2-yloxymethyl)-1,2,4-triazole
SMILESCCC(C)OCn1cncn1
InChIInChI=1S/C7H13N3O/c1-3-7(2)11-6-10-5-8-4-9-10/h4-5,7H,3,6H2,1-2H3
InChIKeyCKWKTIKRJOEWAQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.05
Rot. Bonds4

About 1-(butan-2-yloxymethyl)-1,2,4-triazole

1-(butan-2-yloxymethyl)-1,2,4-triazole (PubChem CID 70453173) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(butan-2-yloxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(butan-2-yloxymethyl)-1,2,4-triazole
PubChem CID70453173
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(butan-2-yloxymethyl)-1,2,4-triazole
SMILESCCC(C)OCn1cncn1
InChIInChI=1S/C7H13N3O/c1-3-7(2)11-6-10-5-8-4-9-10/h4-5,7H,3,6H2,1-2H3
InChIKeyCKWKTIKRJOEWAQ-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1H-1,2,4-Triazole, 1-(diethoxymethyl)-
CID 18670731
1-(Butoxymethyl)-1,2,4-triazole
CID 20581916
[Ethoxy(1,2,4-triazol-1-yl)methyl]-trimethylsilane
CID 54140106
3-Ethoxy-4-methyl-1,2,4-triazole
CID 54201153
3-Ethoxy-1-propan-2-yl-1,2,4-triazole
CID 59591061
3-(2-Methoxyethoxy)-1-methyl-1,2,4-triazole
CID 67757502
1-Propoxy-1,2,4-triazole
CID 91327085
4-Methyl-3-[(2-methylpropan-2-yl)oxy]-1,2,4-triazole
CID 134453248
Propan-2-yl 1,2,4-triazole-1-carboxylate
CID 140947581

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-yloxymethyl)-1,2,4-triazole?
The IUPAC name of 1-(butan-2-yloxymethyl)-1,2,4-triazole (CID 70453173) is 1-(butan-2-yloxymethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(butan-2-yloxymethyl)-1,2,4-triazole?
The canonical SMILES for 1-(butan-2-yloxymethyl)-1,2,4-triazole is CCC(C)OCn1cncn1.
What is the InChIKey of 1-(butan-2-yloxymethyl)-1,2,4-triazole?
The InChIKey is CKWKTIKRJOEWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-7(2)11-6-10-5-8-4-9-10/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-(butan-2-yloxymethyl)-1,2,4-triazole?
1-(butan-2-yloxymethyl)-1,2,4-triazole has a molecular weight of 155.20 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-(butan-2-yloxymethyl)-1,2,4-triazole is sourced from PubChem (CID 70453173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).