1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole

C12H15N3 — CID 70871357

IUPAC1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole
SMILESCCc1cccc(-c2ncn(CC)n2)c1
InChIInChI=1S/C12H15N3/c1-3-10-6-5-7-11(8-10)12-13-9-15(4-2)14-12/h5-9H,3-4H2,1-2H3
InChIKeyOAJKIVVVTLMGLW-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.53
Rot. Bonds3

About 1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole

1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole (PubChem CID 70871357) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole
PubChem CID70871357
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole
SMILESCCc1cccc(-c2ncn(CC)n2)c1
InChIInChI=1S/C12H15N3/c1-3-10-6-5-7-11(8-10)12-13-9-15(4-2)14-12/h5-9H,3-4H2,1-2H3
InChIKeyOAJKIVVVTLMGLW-UHFFFAOYSA-N
XLogP2.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-1,2,4-Triazole, 5-phenyl-
CID 18786
1H-Tetrazole, 1-ethyl-5-phenyl-
CID 100270
1-(Phenylmethyl)-1H-1,2,4-triazole
CID 22458
1-(biphenyl-3-ylmethyl)-1H-1,2,4-triazole
CID 23585406
1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine
CID 12581307
3-Phenyl-4H-1,2,4-triazol-4-ol
CID 589306
1-Benzyl-3,5-diphenyl-1,2,4-triazole
CID 856237
1-Methyl-5-(3-phenylphenyl)-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 154929738
5-(3-Tert-butylphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 162644273
4H-1,2,4-Triazole, 3-methoxy-4-methyl-5-phenyl-
CID 3039312
Dicyclopropylmethyl-[5-(2,4-dimethyl-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-propyl-amine
CID 44337493
3-(4-Butylphenyl)-4-methyl-5-phenyl-1,2,4-triazole
CID 44448620

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole?
The IUPAC name of 1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole (CID 70871357) is 1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole is CCc1cccc(-c2ncn(CC)n2)c1.
What is the InChIKey of 1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole?
The InChIKey is OAJKIVVVTLMGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-10-6-5-7-11(8-10)12-13-9-15(4-2)14-12/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole?
1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole has a molecular weight of 201.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-ethylphenyl)-1,2,4-triazole is sourced from PubChem (CID 70871357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).