3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol

C11H20N6O2 — CID 114148716

IUPAC3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCCOc1nc(NN)nc(NCC2CCC(O)C2)n1
InChIInChI=1S/C11H20N6O2/c1-2-19-11-15-9(14-10(16-11)17-12)13-6-7-3-4-8(18)5-7/h7-8,18H,2-6,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyPCQYSSNHDJZISF-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.13
Rot. Bonds6

About 3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol

3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 114148716) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID114148716
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCCOc1nc(NN)nc(NCC2CCC(O)C2)n1
InChIInChI=1S/C11H20N6O2/c1-2-19-11-15-9(14-10(16-11)17-12)13-6-7-3-4-8(18)5-7/h7-8,18H,2-6,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyPCQYSSNHDJZISF-UHFFFAOYSA-N
XLogP0.13
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol (CID 114148716) is 3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol is CCOc1nc(NN)nc(NCC2CCC(O)C2)n1.
What is the InChIKey of 3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is PCQYSSNHDJZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-2-19-11-15-9(14-10(16-11)17-12)13-6-7-3-4-8(18)5-7/h7-8,18H,2-6,12H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114148716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).