2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol

C10H20N6O2 — CID 80919687

IUPAC2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NN)nc(OC)n1
InChIInChI=1S/C10H20N6O2/c1-4-10(5-2,6-17)15-7-12-8(16-11)14-9(13-7)18-3/h17H,4-6,11H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyKZJKGAKGMFJTHO-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.13
Rot. Bonds7

About 2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol

2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol (PubChem CID 80919687) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
PubChem CID80919687
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC Name2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NN)nc(OC)n1
InChIInChI=1S/C10H20N6O2/c1-4-10(5-2,6-17)15-7-12-8(16-11)14-9(13-7)18-3/h17H,4-6,11H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyKZJKGAKGMFJTHO-UHFFFAOYSA-N
XLogP0.13
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
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 2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol (CID 80919687) is 2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol is CCC(CC)(CO)Nc1nc(NN)nc(OC)n1.
What is the InChIKey of 2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
The InChIKey is KZJKGAKGMFJTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2/c1-4-10(5-2,6-17)15-7-12-8(16-11)14-9(13-7)18-3/h17H,4-6,11H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol has a molecular weight of 256.31 g/mol, XLogP of 0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 80919687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).