acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide

C24H31N11O2 — CID 143752175

About acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide (PubChem CID 143752175) has the molecular formula C24H31N11O2 and a molecular weight of 505.59 g/mol. Its IUPAC name is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide.

Molecular Properties

• Compound Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide
• PubChem CID: 143752175
• Molecular Formula: C24H31N11O2
• Molecular Weight: 505.59 g/mol
• Exact Mass: 505.27
• IUPAC Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide
• SMILES: C#C.O=CNc1cnccn1.c1c(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)n[nH]c1C1CC1
• InChI: InChI=1S/C17H24N8O.C5H5N3O.C2H2/c1-2-6-24(5-1)16-19-15(18-14-11-13(22-23-14)12-3-4-12)20-17(21-16)25-7-9-26-10-8-25;9-4-8-5-3-6-1-2-7-5;1-2/h11-12H,1-10H2,(H2,18,19,20,21,22,23);1-4H,(H,7,8,9);1-2H
• InChIKey: OALRCPQOKWZGCL-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 149.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.59
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide?

The IUPAC name of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide (CID 143752175) is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide.

What is the SMILES notation for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide?

The canonical SMILES for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide is C#C.O=CNc1cnccn1.c1c(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)n[nH]c1C1CC1.

What is the InChIKey of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide?

The InChIKey is OALRCPQOKWZGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O.C5H5N3O.C2H2/c1-2-6-24(5-1)16-19-15(18-14-11-13(22-23-14)12-3-4-12)20-17(21-16)25-7-9-26-10-8-25;9-4-8-5-3-6-1-2-7-5;1-2/h11-12H,1-10H2,(H2,18,19,20,21,22,23);1-4H,(H,7,8,9);1-2H.

What are the key properties of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide?

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide has a molecular weight of 505.59 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-pyrazin-2-ylformamide is sourced from PubChem (CID 143752175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).