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

C12H24N4 — CID 83160201

IUPAC2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine
SMILESCCn1ncnc1CC(C)(CNC)C(C)C
InChIInChI=1S/C12H24N4/c1-6-16-11(14-9-15-16)7-12(4,8-13-5)10(2)3/h9-10,13H,6-8H2,1-5H3
InChIKeyUQXMJQVJFSXXML-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.72
Rot. Bonds6

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

2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine (PubChem CID 83160201) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine
PubChem CID83160201
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine
SMILESCCn1ncnc1CC(C)(CNC)C(C)C
InChIInChI=1S/C12H24N4/c1-6-16-11(14-9-15-16)7-12(4,8-13-5)10(2)3/h9-10,13H,6-8H2,1-5H3
InChIKeyUQXMJQVJFSXXML-UHFFFAOYSA-N
XLogP1.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(methylamino)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66040076
2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83151190
5-(3-bromo-2,2-dimethylpropyl)-1-ethyl-1,2,4-triazole
CID 66048181
2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159196
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine
CID 116759933
1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312559
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105318623
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine
CID 102640345
N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 83160468

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine (CID 83160201) is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine is CCn1ncnc1CC(C)(CNC)C(C)C.
What is the InChIKey of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine?
The InChIKey is UQXMJQVJFSXXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-6-16-11(14-9-15-16)7-12(4,8-13-5)10(2)3/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine?
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 83160201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).