N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine

C15H26N6 — CID 82700032

IUPACN-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(CC)nn(Cc2ncnn2CC)c1CC
InChIInChI=1S/C15H26N6/c1-5-13-12(9-16-7-3)14(6-2)21(19-13)10-15-17-11-18-20(15)8-4/h11,16H,5-10H2,1-4H3
InChIKeyKKZNIKJGXXGIFD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.78
Rot. Bonds8

About N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine

N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 82700032) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID82700032
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC NameN-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(CC)nn(Cc2ncnn2CC)c1CC
InChIInChI=1S/C15H26N6/c1-5-13-12(9-16-7-3)14(6-2)21(19-13)10-15-17-11-18-20(15)8-4/h11,16H,5-10H2,1-4H3
InChIKeyKKZNIKJGXXGIFD-UHFFFAOYSA-N
XLogP1.78
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

5-[[4-(chloromethyl)-3,5-diethylpyrazol-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 82700774
N-[[3,5-diethyl-1-[(4-iodophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 82700027
N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697029
N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697711
5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79542440
N-[[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methyl]ethanamine
CID 82697239
N-[[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 116617995
5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole
CID 82699222
N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
CID 82698359
N-[[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 82700301
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
CID 107431063

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine (CID 82700032) is N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine is CCNCc1c(CC)nn(Cc2ncnn2CC)c1CC.
What is the InChIKey of N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is KKZNIKJGXXGIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-5-13-12(9-16-7-3)14(6-2)21(19-13)10-15-17-11-18-20(15)8-4/h11,16H,5-10H2,1-4H3.
What are the key properties of N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 82700032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).