1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole

C14H23N5 — CID 72927815

IUPAC1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole
SMILESCCc1nccn1CCc1nc(C)nn1C(C)(C)C
InChIInChI=1S/C14H23N5/c1-6-12-15-8-10-18(12)9-7-13-16-11(2)17-19(13)14(3,4)5/h8,10H,6-7,9H2,1-5H3
InChIKeyYPVIEIUCENRRRA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.34
Rot. Bonds4

About 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole

1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole (PubChem CID 72927815) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole
PubChem CID72927815
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole
SMILESCCc1nccn1CCc1nc(C)nn1C(C)(C)C
InChIInChI=1S/C14H23N5/c1-6-12-15-8-10-18(12)9-7-13-16-11(2)17-19(13)14(3,4)5/h8,10H,6-7,9H2,1-5H3
InChIKeyYPVIEIUCENRRRA-UHFFFAOYSA-N
XLogP2.34
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole?
The IUPAC name of 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole (CID 72927815) is 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole is CCc1nccn1CCc1nc(C)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole?
The InChIKey is YPVIEIUCENRRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-6-12-15-8-10-18(12)9-7-13-16-11(2)17-19(13)14(3,4)5/h8,10H,6-7,9H2,1-5H3.
What are the key properties of 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole?
1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole has a molecular weight of 261.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-[2-(2-ethylimidazol-1-yl)ethyl]-3-methyl-1,2,4-triazole is sourced from PubChem (CID 72927815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).