1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine

C13H22N6 — CID 131897789

IUPAC1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCCc1nccn1CC(C)NCCc1ncnn1C
InChIInChI=1S/C13H22N6/c1-4-12-15-7-8-19(12)9-11(2)14-6-5-13-16-10-17-18(13)3/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyWLUAZTMSPKENHH-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.79
Rot. Bonds7

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

1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (PubChem CID 131897789) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
PubChem CID131897789
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCCc1nccn1CC(C)NCCc1ncnn1C
InChIInChI=1S/C13H22N6/c1-4-12-15-7-8-19(12)9-11(2)14-6-5-13-16-10-17-18(13)3/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyWLUAZTMSPKENHH-UHFFFAOYSA-N
XLogP0.79
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine with MolForge

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Related Compounds

N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
CID 62565525
N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine
CID 62565130
1-(2-ethylimidazol-1-yl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-2-amine
CID 122565585
1-methoxy-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 115893331
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64810311
1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
CID 125445145
1-(4-chlorophenyl)-N-[1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
CID 122568487
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115689868
2-ethyl-1-(2-propan-2-yloxyethyl)imidazole
CID 63810193

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (CID 131897789) is 1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is CCc1nccn1CC(C)NCCc1ncnn1C.
What is the InChIKey of 1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The InChIKey is WLUAZTMSPKENHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-4-12-15-7-8-19(12)9-11(2)14-6-5-13-16-10-17-18(13)3/h7-8,10-11,14H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine has a molecular weight of 262.36 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 131897789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).