3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine

C15H15N5 — CID 11346121

IUPAC3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine
SMILESc1ccc(-c2cnnc(CCCn3ccnc3)n2)cc1
InChIInChI=1S/C15H15N5/c1-2-5-13(6-3-1)14-11-17-19-15(18-14)7-4-9-20-10-8-16-12-20/h1-3,5-6,8,10-12H,4,7,9H2
InChIKeyKLDSTALBXGMVRR-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.37
Rot. Bonds5

About 3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine

3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine (PubChem CID 11346121) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine
PubChem CID11346121
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine
SMILESc1ccc(-c2cnnc(CCCn3ccnc3)n2)cc1
InChIInChI=1S/C15H15N5/c1-2-5-13(6-3-1)14-11-17-19-15(18-14)7-4-9-20-10-8-16-12-20/h1-3,5-6,8,10-12H,4,7,9H2
InChIKeyKLDSTALBXGMVRR-UHFFFAOYSA-N
XLogP2.37
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
CID 11336787
3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine
CID 15307832
1-(8-phenyloctyl)imidazole
CID 102394184
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
1-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241
N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3610950
N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine
CID 73333742
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494
4-[3-(3-hydroxypropyl)-1,2,4-triazin-5-yl]phenol
CID 136699767
N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
CID 11438900
3-(3-imidazol-1-ylpropyl)quinolin-2-amine
CID 67942243
N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide
CID 71688676

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine (CID 11346121) is 3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine is c1ccc(-c2cnnc(CCCn3ccnc3)n2)cc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine?
The InChIKey is KLDSTALBXGMVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-5-13(6-3-1)14-11-17-19-15(18-14)7-4-9-20-10-8-16-12-20/h1-3,5-6,8,10-12H,4,7,9H2.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine?
3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine has a molecular weight of 265.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-5-phenyl-1,2,4-triazine is sourced from PubChem (CID 11346121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).