5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine

C21H19N5 — CID 11336787

IUPAC5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
SMILESc1ccc(-c2cnnc(CCCn3ccnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H19N5/c1-3-8-17(9-4-1)19-16-23-25-20(24-19)12-7-14-26-15-13-22-21(26)18-10-5-2-6-11-18/h1-6,8-11,13,15-16H,7,12,14H2
InChIKeyDVVSKYUBPMGBCF-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.03
Rot. Bonds6

About 5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine

5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine (PubChem CID 11336787) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine.

Molecular Properties

Compound Name5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
PubChem CID11336787
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
SMILESc1ccc(-c2cnnc(CCCn3ccnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H19N5/c1-3-8-17(9-4-1)19-16-23-25-20(24-19)12-7-14-26-15-13-22-21(26)18-10-5-2-6-11-18/h1-6,8-11,13,15-16H,7,12,14H2
InChIKeyDVVSKYUBPMGBCF-UHFFFAOYSA-N
XLogP4.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine
CID 11346121
ethyl 6-methyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine-5-carboxylate
CID 11314134
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
4-(2-phenylimidazol-1-yl)butanethioamide
CID 61069569
4-(2-phenylimidazol-1-yl)butanoic acid
CID 15307825
[2-[[5-(4-bromophenyl)-1,2,4-triazin-3-yl]methyl]-3-(2-phenylimidazol-1-yl)propoxy]-tert-butyl-dimethylsilane
CID 11295999
2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole
CID 70719180
3-(2-phenylimidazol-1-yl)propanal
CID 63040001
1-but-3-ynyl-2-phenylimidazole
CID 55249657
5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole
CID 56886295
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
CID 62566993
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine?
The IUPAC name of 5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine (CID 11336787) is 5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine.
What is the SMILES notation for 5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine?
The canonical SMILES for 5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine is c1ccc(-c2cnnc(CCCn3ccnc3-c3ccccc3)n2)cc1.
What is the InChIKey of 5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine?
The InChIKey is DVVSKYUBPMGBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-3-8-17(9-4-1)19-16-23-25-20(24-19)12-7-14-26-15-13-22-21(26)18-10-5-2-6-11-18/h1-6,8-11,13,15-16H,7,12,14H2.
What are the key properties of 5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine?
5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine has a molecular weight of 341.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine is sourced from PubChem (CID 11336787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).