7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine

C20H22N6 — CID 135802779

IUPAC7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCc1ccc2cc(-c3nc(C4CCCCC4)n4ncnc(N)c34)[nH]c2c1
InChIInChI=1S/C20H22N6/c1-12-7-8-14-10-16(24-15(14)9-12)17-18-19(21)22-11-23-26(18)20(25-17)13-5-3-2-4-6-13/h7-11,13,24H,2-6H2,1H3,(H2,21,22,23)
InChIKeyKRVMGMZLGJESFS-UHFFFAOYSA-N
MW346.44 g/mol
LogP4.21
Rot. Bonds2

About 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine

7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 135802779) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID135802779
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCc1ccc2cc(-c3nc(C4CCCCC4)n4ncnc(N)c34)[nH]c2c1
InChIInChI=1S/C20H22N6/c1-12-7-8-14-10-16(24-15(14)9-12)17-18-19(21)22-11-23-26(18)20(25-17)13-5-3-2-4-6-13/h7-11,13,24H,2-6H2,1H3,(H2,21,22,23)
InChIKeyKRVMGMZLGJESFS-UHFFFAOYSA-N
XLogP4.21
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 135802779) is 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine is Cc1ccc2cc(-c3nc(C4CCCCC4)n4ncnc(N)c34)[nH]c2c1.
What is the InChIKey of 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is KRVMGMZLGJESFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-12-7-8-14-10-16(24-15(14)9-12)17-18-19(21)22-11-23-26(18)20(25-17)13-5-3-2-4-6-13/h7-11,13,24H,2-6H2,1H3,(H2,21,22,23).
What are the key properties of 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 346.44 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 135802779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).