N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

C14H22N4O — CID 104999895

IUPACN-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCNC(Cc1ncnn1CC(C)C)c1coc(C)c1
InChIInChI=1S/C14H22N4O/c1-10(2)7-18-14(16-9-17-18)6-13(15-4)12-5-11(3)19-8-12/h5,8-10,13,15H,6-7H2,1-4H3
InChIKeyOHGZYSASEBOMSE-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.34
Rot. Bonds6

About N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 104999895) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID104999895
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCNC(Cc1ncnn1CC(C)C)c1coc(C)c1
InChIInChI=1S/C14H22N4O/c1-10(2)7-18-14(16-9-17-18)6-13(15-4)12-5-11(3)19-8-12/h5,8-10,13,15H,6-7H2,1-4H3
InChIKeyOHGZYSASEBOMSE-UHFFFAOYSA-N
XLogP2.34
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105318542
N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine
CID 104999943
1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000098
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011259
[1-(2,6-dimethyl-4-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107504998
1-(2,5-dichlorophenyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999862
N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(thiadiazol-4-yl)ethanamine
CID 105160728
2-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105009117
1-(5-bromo-2-chlorophenyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000124
1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105211592
[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317685

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 104999895) is N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CNC(Cc1ncnn1CC(C)C)c1coc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is OHGZYSASEBOMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)7-18-14(16-9-17-18)6-13(15-4)12-5-11(3)19-8-12/h5,8-10,13,15H,6-7H2,1-4H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 262.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 104999895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).