1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine

C10H20N4O — CID 115893331

IUPAC1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
SMILESCCC(COC)NCCc1ncnn1C
InChIInChI=1S/C10H20N4O/c1-4-9(7-15-3)11-6-5-10-12-8-13-14(10)2/h8-9,11H,4-7H2,1-3H3
InChIKeyLLTDOFKQDREUHC-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.37
Rot. Bonds7

About 1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine

1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine (PubChem CID 115893331) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
PubChem CID115893331
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
SMILESCCC(COC)NCCc1ncnn1C
InChIInChI=1S/C10H20N4O/c1-4-9(7-15-3)11-6-5-10-12-8-13-14(10)2/h8-9,11H,4-7H2,1-3H3
InChIKeyLLTDOFKQDREUHC-UHFFFAOYSA-N
XLogP0.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol
CID 106246462
1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 131897789
4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 106159828
2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115689868
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115677442
5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 105109399
1-methoxy-N-[2-(2-methoxyphenyl)ethyl]butan-2-amine
CID 103775921
N-(2-methoxyethoxy)-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 82723136
[1-ethoxy-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235263
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 115689877
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
[4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 103025371

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine (CID 115893331) is 1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine is CCC(COC)NCCc1ncnn1C.
What is the InChIKey of 1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
The InChIKey is LLTDOFKQDREUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-9(7-15-3)11-6-5-10-12-8-13-14(10)2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine?
1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine has a molecular weight of 212.30 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115893331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).