N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine

C14H24N6 — CID 105160734

IUPACN-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC(C)C)c1ccnn1C
InChIInChI=1S/C14H24N6/c1-5-15-12(13-6-7-17-19(13)4)8-14-16-10-18-20(14)9-11(2)3/h6-7,10-12,15H,5,8-9H2,1-4H3
InChIKeyXBBMCIRMWZPEAM-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.56
Rot. Bonds7

About N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine

N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 105160734) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID105160734
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC NameN-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC(C)C)c1ccnn1C
InChIInChI=1S/C14H24N6/c1-5-15-12(13-6-7-17-19(13)4)8-14-16-10-18-20(14)9-11(2)3/h6-7,10-12,15H,5,8-9H2,1-4H3
InChIKeyXBBMCIRMWZPEAM-UHFFFAOYSA-N
XLogP1.56
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160788
N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105160846
N-methyl-1-(2-methylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159617
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105161757
1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 103546897
1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000098
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
N,3-diethyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105176670
N-ethyl-3-methylidene-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105163864
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963537
N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(thiadiazol-4-yl)ethanamine
CID 105160728
N-ethyl-1-(2-methylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159264

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine (CID 105160734) is N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ncnn1CC(C)C)c1ccnn1C.
What is the InChIKey of N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is XBBMCIRMWZPEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-5-15-12(13-6-7-17-19(13)4)8-14-16-10-18-20(14)9-11(2)3/h6-7,10-12,15H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine?
N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 276.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105160734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).