cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C22H30N8 — CID 171551818

About cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 171551818) has the molecular formula C22H30N8 and a molecular weight of 406.54 g/mol. Its IUPAC name is cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

• Compound Name: cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
• PubChem CID: 171551818
• Molecular Formula: C22H30N8
• Molecular Weight: 406.54 g/mol
• Exact Mass: 406.26
• IUPAC Name: cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
• SMILES: C1CCCCC1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1C(C)C
• InChI: InChI=1S/C16H18N8.C6H12/c1-8(2)24-9(3)19-12-5-4-11(20-15(12)24)10-6-7-23-13(10)14(17)21-16(18)22-23;1-2-4-6-5-3-1/h4-8H,1-3H3,(H4,17,18,21,22);1-6H2
• InChIKey: LMGBZARAPVSIGL-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 112.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.54
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

The IUPAC name of cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 171551818) is cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

What is the SMILES notation for cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

The canonical SMILES for cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is C1CCCCC1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1C(C)C.

What is the InChIKey of cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

The InChIKey is LMGBZARAPVSIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8.C6H12/c1-8(2)24-9(3)19-12-5-4-11(20-15(12)24)10-6-7-23-13(10)14(17)21-16(18)22-23;1-2-4-6-5-3-1/h4-8H,1-3H3,(H4,17,18,21,22);1-6H2.

What are the key properties of cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 406.54 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171551818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).