4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole

C10H11N7 — CID 72898518

IUPAC4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
SMILESc1c[nH]c(-c2cn(CCc3cnc[nH]3)nn2)n1
InChIInChI=1S/C10H11N7/c1(8-5-11-7-14-8)4-17-6-9(15-16-17)10-12-2-3-13-10/h2-3,5-7H,1,4H2,(H,11,14)(H,12,13)
InChIKeyUZAQXZIKCIUZJO-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.63
Rot. Bonds4

About 4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole

4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole (PubChem CID 72898518) has the molecular formula C10H11N7 and a molecular weight of 229.25 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
PubChem CID72898518
Molecular FormulaC10H11N7
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
SMILESc1c[nH]c(-c2cn(CCc3cnc[nH]3)nn2)n1
InChIInChI=1S/C10H11N7/c1(8-5-11-7-14-8)4-17-6-9(15-16-17)10-12-2-3-13-10/h2-3,5-7H,1,4H2,(H,11,14)(H,12,13)
InChIKeyUZAQXZIKCIUZJO-UHFFFAOYSA-N
XLogP0.63
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole (CID 72898518) is 4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole is c1c[nH]c(-c2cn(CCc3cnc[nH]3)nn2)n1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The InChIKey is UZAQXZIKCIUZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7/c1(8-5-11-7-14-8)4-17-6-9(15-16-17)10-12-2-3-13-10/h2-3,5-7H,1,4H2,(H,11,14)(H,12,13).
What are the key properties of 4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole has a molecular weight of 229.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole is sourced from PubChem (CID 72898518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).