3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane

C15H28N4 — CID 143782084

IUPAC3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane
SMILESC/C(=C\c1nncn1C)C(C)CC1CCCN1.CC
InChIInChI=1S/C13H22N4.C2H6/c1-10(7-12-5-4-6-14-12)11(2)8-13-16-15-9-17(13)3;1-2/h8-10,12,14H,4-7H2,1-3H3;1-2H3/b11-8+;
InChIKeyAZLATZPDPJMRFX-YGCVIUNWSA-N
MW264.42 g/mol
LogP3.02
Rot. Bonds4

About 3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane

3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane (PubChem CID 143782084) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane
PubChem CID143782084
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane
SMILESC/C(=C\c1nncn1C)C(C)CC1CCCN1.CC
InChIInChI=1S/C13H22N4.C2H6/c1-10(7-12-5-4-6-14-12)11(2)8-13-16-15-9-17(13)3;1-2/h8-10,12,14H,4-7H2,1-3H3;1-2H3/b11-8+;
InChIKeyAZLATZPDPJMRFX-YGCVIUNWSA-N
XLogP3.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
CID 143782091
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43783876
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43783889
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895807
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 61003878
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 63332454
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63332635
5,5-Dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohex-2-en-1-amine
CID 65614408
3-[(2-Propyl-1,2,4-triazol-3-yl)methyl]cyclohex-2-en-1-amine
CID 65617407
3-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-2-en-1-amine
CID 65617607

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane?
The IUPAC name of 3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane (CID 143782084) is 3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane.
What is the SMILES notation for 3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane?
The canonical SMILES for 3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane is C/C(=C\c1nncn1C)C(C)CC1CCCN1.CC.
What is the InChIKey of 3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane?
The InChIKey is AZLATZPDPJMRFX-YGCVIUNWSA-N. The full InChI is InChI=1S/C13H22N4.C2H6/c1-10(7-12-5-4-6-14-12)11(2)8-13-16-15-9-17(13)3;1-2/h8-10,12,14H,4-7H2,1-3H3;1-2H3/b11-8+;.
What are the key properties of 3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane?
3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane has a molecular weight of 264.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane is sourced from PubChem (CID 143782084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).