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

C12H24N4 — CID 115906006

IUPACN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine
SMILESCCCC(CC)NCCn1cnnc1CC
InChIInChI=1S/C12H24N4/c1-4-7-11(5-2)13-8-9-16-10-14-15-12(16)6-3/h10-11,13H,4-9H2,1-3H3
InChIKeyRCHNNRHBGPHUBZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.01
Rot. Bonds8

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

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine (PubChem CID 115906006) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine
PubChem CID115906006
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine
SMILESCCCC(CC)NCCn1cnnc1CC
InChIInChI=1S/C12H24N4/c1-4-7-11(5-2)13-8-9-16-10-14-15-12(16)6-3/h10-11,13H,4-9H2,1-3H3
InChIKeyRCHNNRHBGPHUBZ-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.01
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]pentan-2-amine
CID 115725048
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115725055
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine
CID 115656753
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 111495001
1-(2-ethylhexyl)-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111510395
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111822187
2-butyl-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111701393
1-ethyl-2-(2-ethylbutyl)-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine;hydroiodide
CID 111990070
N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62694659
1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine
CID 106463504

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine?
The IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine (CID 115906006) is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine is CCCC(CC)NCCn1cnnc1CC.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine?
The InChIKey is RCHNNRHBGPHUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-7-11(5-2)13-8-9-16-10-14-15-12(16)6-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine?
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]hexan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 2.01, 8 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]hexan-3-amine is sourced from PubChem (CID 115906006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).