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

C11H22N4 — CID 106301790

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
SMILESCCCCCCNCc1nncn1CC
InChIInChI=1S/C11H22N4/c1-3-5-6-7-8-12-9-11-14-13-10-15(11)4-2/h10,12H,3-9H2,1-2H3
InChIKeyVHDWSMGWZYAQMF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.97
Rot. Bonds8

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine (PubChem CID 106301790) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
PubChem CID106301790
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
SMILESCCCCCCNCc1nncn1CC
InChIInChI=1S/C11H22N4/c1-3-5-6-7-8-12-9-11-14-13-10-15(11)4-2/h10,12H,3-9H2,1-2H3
InChIKeyVHDWSMGWZYAQMF-UHFFFAOYSA-N
XLogP1.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106302869
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-nonylguanidine;hydroiodide
CID 111386112
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]octan-2-amine
CID 103777665
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-propylsulfonylethanamine
CID 114170835
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106302883
tert-butyl N-[3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propyl]carbamate
CID 107094646
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106302950
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 106302521
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylhexan-1-amine
CID 103777679

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine (CID 106301790) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine is CCCCCCNCc1nncn1CC.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine?
The InChIKey is VHDWSMGWZYAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-5-6-7-8-12-9-11-14-13-10-15(11)4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine is sourced from PubChem (CID 106301790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).