5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride

C15H17ClN8 — CID 176718570

About 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride

5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride (PubChem CID 176718570) has the molecular formula C15H17ClN8 and a molecular weight of 344.81 g/mol. Its IUPAC name is 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride
• PubChem CID: 176718570
• Molecular Formula: C15H17ClN8
• Molecular Weight: 344.81 g/mol
• Exact Mass: 344.13
• IUPAC Name: 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride
• SMILES: Cc1c(-c2ccn(C)n2)cn2nc(-c3nccn3C)nc(N)c12.Cl
• InChI: InChI=1S/C15H16N8.ClH/c1-9-10(11-4-6-22(3)19-11)8-23-12(9)13(16)18-14(20-23)15-17-5-7-21(15)2;/h4-8H,1-3H3,(H2,16,18,20);1H
• InChIKey: VJKDKDVFAMSXRL-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 91.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.81
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride?

The IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride (CID 176718570) is 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride.

What is the SMILES notation for 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride?

The canonical SMILES for 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride is Cc1c(-c2ccn(C)n2)cn2nc(-c3nccn3C)nc(N)c12.Cl.

What is the InChIKey of 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride?

The InChIKey is VJKDKDVFAMSXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8.ClH/c1-9-10(11-4-6-22(3)19-11)8-23-12(9)13(16)18-14(20-23)15-17-5-7-21(15)2;/h4-8H,1-3H3,(H2,16,18,20);1H.

What are the key properties of 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride?

5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride has a molecular weight of 344.81 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride is sourced from PubChem (CID 176718570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).