4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine

C11H15N7O — CID 80943283

IUPAC4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NCc2ccccn2)n1
InChIInChI=1S/C11H15N7O/c1-2-19-11-16-9(15-10(17-11)18-12)14-7-8-5-3-4-6-13-8/h3-6H,2,7,12H2,1H3,(H2,14,15,16,17,18)
InChIKeyFAVOCIQTSDGTRL-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.56
Rot. Bonds6

About 4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine

4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 80943283) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID80943283
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NCc2ccccn2)n1
InChIInChI=1S/C11H15N7O/c1-2-19-11-16-9(15-10(17-11)18-12)14-7-8-5-3-4-6-13-8/h3-6H,2,7,12H2,1H3,(H2,14,15,16,17,18)
InChIKeyFAVOCIQTSDGTRL-UHFFFAOYSA-N
XLogP0.56
TPSA110.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
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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Related Compounds

4-hydrazinyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943161
4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol
CID 58039635
4-ethoxy-N-ethyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80846373
4-ethoxy-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 80896902
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
2-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943748
4-ethoxy-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80897139

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine (CID 80943283) is 4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(NCc2ccccn2)n1.
What is the InChIKey of 4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is FAVOCIQTSDGTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-2-19-11-16-9(15-10(17-11)18-12)14-7-8-5-3-4-6-13-8/h3-6H,2,7,12H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80943283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).