5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one

C10H17N3O2 — CID 105109399

IUPAC5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
SMILESCOCC(C)CC(=O)Cc1ncnn1C
InChIInChI=1S/C10H17N3O2/c1-8(6-15-3)4-9(14)5-10-11-7-12-13(10)2/h7-8H,4-6H2,1-3H3
InChIKeyZZZYEYIUHLIAGR-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.60
Rot. Bonds6

About 5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one

5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one (PubChem CID 105109399) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
PubChem CID105109399
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
SMILESCOCC(C)CC(=O)Cc1ncnn1C
InChIInChI=1S/C10H17N3O2/c1-8(6-15-3)4-9(14)5-10-11-7-12-13(10)2/h7-8H,4-6H2,1-3H3
InChIKeyZZZYEYIUHLIAGR-UHFFFAOYSA-N
XLogP0.60
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116566819
4-amino-4-cyclopropyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116608862
1-(2-aminoethoxy)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-one
CID 116591027
3-amino-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116551792
4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-one
CID 114981841
5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 79952995
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
CID 105135356
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one
CID 105128793
5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116555705
1-(4-aminophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-one
CID 116549596
4,4,4-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-one
CID 103311493
1-(2-methoxyethylamino)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 116591674

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The IUPAC name of 5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one (CID 105109399) is 5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one.
What is the SMILES notation for 5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The canonical SMILES for 5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one is COCC(C)CC(=O)Cc1ncnn1C.
What is the InChIKey of 5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The InChIKey is ZZZYEYIUHLIAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(6-15-3)4-9(14)5-10-11-7-12-13(10)2/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one is sourced from PubChem (CID 105109399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).