6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine

C18H22N8 — CID 130267933

IUPAC6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine
SMILESCC(C)(C)c1cn2nnc(CC(C)(C)c3cn4ncncc4n3)cc2n1
InChIInChI=1S/C18H22N8/c1-17(2,3)13-9-26-15(21-13)6-12(23-24-26)7-18(4,5)14-10-25-16(22-14)8-19-11-20-25/h6,8-11H,7H2,1-5H3
InChIKeyCOQAYARPPPWDRX-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.38
Rot. Bonds3

About 6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine

6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine (PubChem CID 130267933) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine.

Molecular Properties

Compound Name6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine
PubChem CID130267933
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine
SMILESCC(C)(C)c1cn2nnc(CC(C)(C)c3cn4ncncc4n3)cc2n1
InChIInChI=1S/C18H22N8/c1-17(2,3)13-9-26-15(21-13)6-12(23-24-26)7-18(4,5)14-10-25-16(22-14)8-19-11-20-25/h6,8-11H,7H2,1-5H3
InChIKeyCOQAYARPPPWDRX-UHFFFAOYSA-N
XLogP2.38
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-tert-butyl-2-(2-imidazo[1,2-a][1,3,5]triazin-7-yl-2-methylpropyl)imidazo[1,2-b][1,2,4]triazine
CID 126724656
(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)hydrazine
CID 10013188
2-tert-butylimidazo[1,5-a]pyrimidine
CID 138656525
7-tert-butyl-2-methylimidazo[1,2-b]pyridazine
CID 172542303
2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 176739052
4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
CID 160685427
6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine
CID 130267327
2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)propan-2-ol
CID 58216650
2-tert-butyl-3-chloro-5-[2-(5-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropyl]pyrazolo[1,5-a]pyrimidine
CID 155050627
5-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 70990077
5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58270253
1-[(2S)-5-(4-tert-butyltriazol-1-yl)-5-methylhexan-2-yl]-4-ethyltriazole
CID 174013771

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine?
The IUPAC name of 6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine (CID 130267933) is 6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine.
What is the SMILES notation for 6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine?
The canonical SMILES for 6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine is CC(C)(C)c1cn2nnc(CC(C)(C)c3cn4ncncc4n3)cc2n1.
What is the InChIKey of 6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine?
The InChIKey is COQAYARPPPWDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-17(2,3)13-9-26-15(21-13)6-12(23-24-26)7-18(4,5)14-10-25-16(22-14)8-19-11-20-25/h6,8-11H,7H2,1-5H3.
What are the key properties of 6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine?
6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine has a molecular weight of 350.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(2-imidazo[2,1-f][1,2,4]triazin-6-yl-2-methylpropyl)imidazo[1,2-c]triazine is sourced from PubChem (CID 130267933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).