4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole

C8H11N5 — CID 69248459

IUPAC4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1cncn1C
InChIInChI=1S/C8H11N5/c1-3-13-6-10-11-8(13)7-4-9-5-12(7)2/h4-6H,3H2,1-2H3
InChIKeyFLSNLJPXFBXMKC-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.70
Rot. Bonds2

About 4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole

4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole (PubChem CID 69248459) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole
PubChem CID69248459
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1cncn1C
InChIInChI=1S/C8H11N5/c1-3-13-6-10-11-8(13)7-4-9-5-12(7)2/h4-6H,3H2,1-2H3
InChIKeyFLSNLJPXFBXMKC-UHFFFAOYSA-N
XLogP0.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole (CID 69248459) is 4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole is CCn1cnnc1-c1cncn1C.
What is the InChIKey of 4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole?
The InChIKey is FLSNLJPXFBXMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-13-6-10-11-8(13)7-4-9-5-12(7)2/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole?
4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole has a molecular weight of 177.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 69248459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).