acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene

C25H33N9OS — CID 143606397

About acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene (PubChem CID 143606397) has the molecular formula C25H33N9OS and a molecular weight of 507.67 g/mol. Its IUPAC name is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene.

Molecular Properties

• Compound Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene
• PubChem CID: 143606397
• Molecular Formula: C25H33N9OS
• Molecular Weight: 507.67 g/mol
• Exact Mass: 507.25
• IUPAC Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene
• SMILES: C#C.C=C.C[C@@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)C1.O=CNC1NC=CS1
• InChI: InChI=1S/C17H21N7.C4H6N2OS.C2H4.C2H2/c1-11-6-8-23(10-11)17-19-16(14-3-2-7-24(14)22-17)18-15-9-13(20-21-15)12-4-5-12;7-3-6-4-5-1-2-8-4;2*1-2/h2-3,7,9,11-12H,4-6,8,10H2,1H3,(H2,18,19,20,21,22);1-5H,(H,6,7);1-2H2;1-2H/t11-;;;/m1.../s1
• InChIKey: GPNNWSOOEPJWMY-HCEFKKQBSA-N
• XLogP: 3.79
• TPSA: 115.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.67
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene?

The IUPAC name of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene (CID 143606397) is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene.

What is the SMILES notation for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene?

The canonical SMILES for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene is C#C.C=C.C[C@@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)C1.O=CNC1NC=CS1.

What is the InChIKey of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene?

The InChIKey is GPNNWSOOEPJWMY-HCEFKKQBSA-N. The full InChI is InChI=1S/C17H21N7.C4H6N2OS.C2H4.C2H2/c1-11-6-8-23(10-11)17-19-16(14-3-2-7-24(14)22-17)18-15-9-13(20-21-15)12-4-5-12;7-3-6-4-5-1-2-8-4;2*1-2/h2-3,7,9,11-12H,4-6,8,10H2,1H3,(H2,18,19,20,21,22);1-5H,(H,6,7);1-2H2;1-2H/t11-;;;/m1.../s1.

What are the key properties of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene?

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene has a molecular weight of 507.67 g/mol, XLogP of 3.79, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(2,3-dihydro-1,3-thiazol-2-yl)formamide;ethene is sourced from PubChem (CID 143606397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).