4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole

C13H17N7 — CID 70750230

IUPAC4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole
SMILESCCCn1ccnc1-c1nccn1CCn1cnnc1
InChIInChI=1S/C13H17N7/c1-2-5-19-6-3-14-12(19)13-15-4-7-20(13)9-8-18-10-16-17-11-18/h3-4,6-7,10-11H,2,5,8-9H2,1H3
InChIKeyUTODCXOXYJKOME-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.45
Rot. Bonds6

About 4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole

4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole (PubChem CID 70750230) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole
PubChem CID70750230
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole
SMILESCCCn1ccnc1-c1nccn1CCn1cnnc1
InChIInChI=1S/C13H17N7/c1-2-5-19-6-3-14-12(19)13-15-4-7-20(13)9-8-18-10-16-17-11-18/h3-4,6-7,10-11H,2,5,8-9H2,1H3
InChIKeyUTODCXOXYJKOME-UHFFFAOYSA-N
XLogP1.45
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole?
The IUPAC name of 4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole (CID 70750230) is 4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole.
What is the SMILES notation for 4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole?
The canonical SMILES for 4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole is CCCn1ccnc1-c1nccn1CCn1cnnc1.
What is the InChIKey of 4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole?
The InChIKey is UTODCXOXYJKOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-2-5-19-6-3-14-12(19)13-15-4-7-20(13)9-8-18-10-16-17-11-18/h3-4,6-7,10-11H,2,5,8-9H2,1H3.
What are the key properties of 4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole?
4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole has a molecular weight of 271.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethyl]-1,2,4-triazole is sourced from PubChem (CID 70750230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).