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

C11H22N4 — CID 115725048

IUPACN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCn1cnnc1CC
InChIInChI=1S/C11H22N4/c1-4-6-10(3)12-7-8-15-9-13-14-11(15)5-2/h9-10,12H,4-8H2,1-3H3
InChIKeyFYAYQGYJOIQJLS-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.62
Rot. Bonds7

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

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine (PubChem CID 115725048) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine
PubChem CID115725048
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCn1cnnc1CC
InChIInChI=1S/C11H22N4/c1-4-6-10(3)12-7-8-15-9-13-14-11(15)5-2/h9-10,12H,4-8H2,1-3H3
InChIKeyFYAYQGYJOIQJLS-UHFFFAOYSA-N
XLogP1.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine
CID 115906006
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115725055
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-2-amine
CID 62566039
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 111495001
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111822187
N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62694659
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine
CID 115656753
1-ethyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-heptan-2-ylguanidine;hydroiodide
CID 111512042
1-butan-2-yl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111492115
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
2-butyl-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111701393

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine (CID 115725048) is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine is CCCC(C)NCCn1cnnc1CC.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine?
The InChIKey is FYAYQGYJOIQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-6-10(3)12-7-8-15-9-13-14-11(15)5-2/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine?
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 115725048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).