3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine

C20H16N8 — CID 91579296

IUPAC3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2ccc(-n3ccnc3)cc2)nnc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H16N8/c21-28-19(15-1-5-17(6-2-15)26-11-9-22-13-26)24-25-20(28)16-3-7-18(8-4-16)27-12-10-23-14-27/h1-14H,21H2
InChIKeyVUPCQMXCWMUONZ-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.70
Rot. Bonds4

About 3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine

3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine (PubChem CID 91579296) has the molecular formula C20H16N8 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
PubChem CID91579296
Molecular FormulaC20H16N8
Molecular Weight368.40 g/mol
Exact Mass368.15
IUPAC Name3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2ccc(-n3ccnc3)cc2)nnc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H16N8/c21-28-19(15-1-5-17(6-2-15)26-11-9-22-13-26)24-25-20(28)16-3-7-18(8-4-16)27-12-10-23-14-27/h1-14H,21H2
InChIKeyVUPCQMXCWMUONZ-UHFFFAOYSA-N
XLogP2.70
TPSA92.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
(4-imidazol-1-ylphenyl)arsane
CID 173134933
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride
CID 141011983
N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 43188203
8-(4-imidazol-1-ylphenyl)-7-methylimidazo[1,2-a]pyridine
CID 23316951
3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 24886930
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
4-imidazol-1-yl-2-methylaniline
CID 14450260
1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole
CID 146046493

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine (CID 91579296) is 3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine is Nn1c(-c2ccc(-n3ccnc3)cc2)nnc1-c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine?
The InChIKey is VUPCQMXCWMUONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8/c21-28-19(15-1-5-17(6-2-15)26-11-9-22-13-26)24-25-20(28)16-3-7-18(8-4-16)27-12-10-23-14-27/h1-14H,21H2.
What are the key properties of 3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine?
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine has a molecular weight of 368.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 91579296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).