methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)

C17H32N8 — CID 158272843

IUPACmethane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)
SMILESC.Cc1cn(C)c(C)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1
InChIInChI=1S/C6H10N2.2C5H9N3.CH4/c1-5-4-8(3)6(2)7-5;2*1-4-6-5(2)8(3)7-4;/h4H,1-3H3;2*1-3H3;1H4
InChIKeyGJGHUWORSDUJPB-UHFFFAOYSA-N
MW348.50 g/mol
LogP2.54
Rot. Bonds

About methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)

methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole) (PubChem CID 158272843) has the molecular formula C17H32N8 and a molecular weight of 348.50 g/mol. Its IUPAC name is methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole).

Molecular Properties

Compound Namemethane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)
PubChem CID158272843
Molecular FormulaC17H32N8
Molecular Weight348.50 g/mol
Exact Mass348.27
IUPAC Namemethane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)
SMILESC.Cc1cn(C)c(C)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1
InChIInChI=1S/C6H10N2.2C5H9N3.CH4/c1-5-4-8(3)6(2)7-5;2*1-4-6-5(2)8(3)7-4;/h4H,1-3H3;2*1-3H3;1H4
InChIKeyGJGHUWORSDUJPB-UHFFFAOYSA-N
XLogP2.54
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5,8-dimethyl-2-[2-[2-methyl-5-[(2S)-2-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72703291
5,8-Dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72704531
5,8-dimethyl-2-{2-[2-methyl-5-(2-methyl-pyrrolidin-1-yl)-2H-[1,2,4]triazol-3-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyrazine
CID 72705093
{5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-1-methyl-1H-[1,2,4]triazol-3-yl}-diethyl-amine
CID 72705286
5,8-dimethyl-2-[2-[2-methyl-5-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90016428
5,8-Dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90018195
2-[2-[1-(Cyclopropylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 90018313
2-[2-(1-Cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 90025798
2-(2-(1-ethyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl)ethyl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 90026676
5,8-dimethyl-2-[2-[2-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 72703511
2-[2-[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 90025678
5,8-Dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90018244

Frequently Asked Questions

What is the IUPAC name of methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)?
The IUPAC name of methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole) (CID 158272843) is methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole).
What is the SMILES notation for methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)?
The canonical SMILES for methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole) is C.Cc1cn(C)c(C)n1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.
What is the InChIKey of methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)?
The InChIKey is GJGHUWORSDUJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.2C5H9N3.CH4/c1-5-4-8(3)6(2)7-5;2*1-4-6-5(2)8(3)7-4;/h4H,1-3H3;2*1-3H3;1H4.
What are the key properties of methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)?
methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole) has a molecular weight of 348.50 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole) is sourced from PubChem (CID 158272843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).