5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole

C7H13N3O — CID 58602880

IUPAC5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
SMILESCOCc1ncnn1C(C)C
InChIInChI=1S/C7H13N3O/c1-6(2)10-7(4-11-3)8-5-9-10/h5-6H,4H2,1-3H3
InChIKeyMLONZDRTGSVYBT-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.01
Rot. Bonds3

About 5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole

5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole (PubChem CID 58602880) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
PubChem CID58602880
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
SMILESCOCc1ncnn1C(C)C
InChIInChI=1S/C7H13N3O/c1-6(2)10-7(4-11-3)8-5-9-10/h5-6H,4H2,1-3H3
InChIKeyMLONZDRTGSVYBT-UHFFFAOYSA-N
XLogP1.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 79493427
5-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-1-propan-2-yl-1,2,4-triazole
CID 79888041
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
2-(bromomethyl)-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]pyridine
CID 79799765
2-[3,5-difluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79881908
5-[(3-bromo-4-fluorophenoxy)methyl]-1-propan-2-yl-1,2,4-triazole
CID 83233379
[1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105246125
[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105247050
1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 82003529
1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanone
CID 82003496
3-amino-4-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 116594219
2-[3,5-dibromo-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 107739678

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole (CID 58602880) is 5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole is COCc1ncnn1C(C)C.
What is the InChIKey of 5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole?
The InChIKey is MLONZDRTGSVYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(2)10-7(4-11-3)8-5-9-10/h5-6H,4H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole?
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole has a molecular weight of 155.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 58602880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).