4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C19H20N8 — CID 69067636

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 69067636) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
• PubChem CID: 69067636
• Molecular Formula: C19H20N8
• Molecular Weight: 360.43 g/mol
• Exact Mass: 360.18
• IUPAC Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
• SMILES: c1cncc(CCNc2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)c1
• InChI: InChI=1S/C19H20N8/c1-3-13(12-20-8-1)7-9-21-19-23-18(16-4-2-10-27(16)26-19)22-17-11-15(24-25-17)14-5-6-14/h1-4,8,10-12,14H,5-7,9H2,(H3,21,22,23,24,25,26)
• InChIKey: KKMAIDPBJJPMGO-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 95.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.43
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 69067636) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is c1cncc(CCNc2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)c1.

What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

The InChIKey is KKMAIDPBJJPMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-3-13(12-20-8-1)7-9-21-19-23-18(16-4-2-10-27(16)26-19)22-17-11-15(24-25-17)14-5-6-14/h1-4,8,10-12,14H,5-7,9H2,(H3,21,22,23,24,25,26).

What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 360.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 69067636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).