4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine

C9H18N4 — CID 82014118

IUPAC4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
SMILESCCn1cnnc1CCC(C)CN
InChIInChI=1S/C9H18N4/c1-3-13-7-11-12-9(13)5-4-8(2)6-10/h7-8H,3-6,10H2,1-2H3
InChIKeyLJKOUEQXYLWSMX-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.83
Rot. Bonds5

About 4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine

4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine (PubChem CID 82014118) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
PubChem CID82014118
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
SMILESCCn1cnnc1CCC(C)CN
InChIInChI=1S/C9H18N4/c1-3-13-7-11-12-9(13)5-4-8(2)6-10/h7-8H,3-6,10H2,1-2H3
InChIKeyLJKOUEQXYLWSMX-UHFFFAOYSA-N
XLogP0.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62692789
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987229
[4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 82468055
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62711428
4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
CID 115394754
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 82849099
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 82013503
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978622
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]octan-2-amine
CID 103777665

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The IUPAC name of 4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine (CID 82014118) is 4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine is CCn1cnnc1CCC(C)CN.
What is the InChIKey of 4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
The InChIKey is LJKOUEQXYLWSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-13-7-11-12-9(13)5-4-8(2)6-10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine?
4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 82014118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).