3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol

C13H19N7O — CID 80832734

About 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol

3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80832734) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
• PubChem CID: 80832734
• Molecular Formula: C13H19N7O
• Molecular Weight: 289.34 g/mol
• Exact Mass: 289.17
• IUPAC Name: 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
• SMILES: CCNc1nc(NCC2CC(O)C2)nc(-n2cccn2)n1
• InChI: InChI=1S/C13H19N7O/c1-2-14-11-17-12(15-8-9-6-10(21)7-9)19-13(18-11)20-5-3-4-16-20/h3-5,9-10,21H,2,6-8H2,1H3,(H2,14,15,17,18,19)
• InChIKey: DAXCQAWZXFBBRN-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 100.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.34
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?

The IUPAC name of 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol (CID 80832734) is 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol.

What is the SMILES notation for 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?

The canonical SMILES for 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol is CCNc1nc(NCC2CC(O)C2)nc(-n2cccn2)n1.

What is the InChIKey of 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?

The InChIKey is DAXCQAWZXFBBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-2-14-11-17-12(15-8-9-6-10(21)7-9)19-13(18-11)20-5-3-4-16-20/h3-5,9-10,21H,2,6-8H2,1H3,(H2,14,15,17,18,19).

What are the key properties of 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol?

3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 289.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80832734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).