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

C11H20N4 — CID 115656753

IUPACN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine
SMILESCCc1nncn1CCNC1CCCC1
InChIInChI=1S/C11H20N4/c1-2-11-14-13-9-15(11)8-7-12-10-5-3-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeyWUITZSBVKMOECA-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.37
Rot. Bonds5

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

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine (PubChem CID 115656753) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine
PubChem CID115656753
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine
SMILESCCc1nncn1CCNC1CCCC1
InChIInChI=1S/C11H20N4/c1-2-11-14-13-9-15(11)8-7-12-10-5-3-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeyWUITZSBVKMOECA-UHFFFAOYSA-N
XLogP1.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.37
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]thiolan-3-amine
CID 115725045
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
1-cyclohexyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111493162
1-cyclohexyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111493245
1-(2-cyclohexylethyl)-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111700326
2-[[(cyclohexylamino)-[2-(3-ethyl-1,2,4-triazol-4-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111517381
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
CID 111698727
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 75428462
1-(3-cyclohexyloxypropyl)-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111519102
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine
CID 111700345
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 97060028
1-cyclopropyl-3-ethyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111495550

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine (CID 115656753) is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine is CCc1nncn1CCNC1CCCC1.
What is the InChIKey of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine?
The InChIKey is WUITZSBVKMOECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-11-14-13-9-15(11)8-7-12-10-5-3-4-6-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine?
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine has a molecular weight of 208.31 g/mol, XLogP of 1.37, 5 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]cyclopentanamine is sourced from PubChem (CID 115656753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).