2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol

C5H6Cl2N4O — CID 81037352

IUPAC2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol
SMILESOCCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C5H6Cl2N4O/c6-3-4(8-1-2-12)9-5(7)11-10-3/h12H,1-2H2,(H,8,9,11)
InChIKeyVKSZECVRMXBOEY-UHFFFAOYSA-N
MW209.04 g/mol
LogP0.58
Rot. Bonds3

About 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol

2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol (PubChem CID 81037352) has the molecular formula C5H6Cl2N4O and a molecular weight of 209.04 g/mol. Its IUPAC name is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol
PubChem CID81037352
Molecular FormulaC5H6Cl2N4O
Molecular Weight209.04 g/mol
Exact Mass207.99
IUPAC Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol
SMILESOCCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C5H6Cl2N4O/c6-3-4(8-1-2-12)9-5(7)11-10-3/h12H,1-2H2,(H,8,9,11)
InChIKeyVKSZECVRMXBOEY-UHFFFAOYSA-N
XLogP0.58
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol?
The IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol (CID 81037352) is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol?
The canonical SMILES for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol is OCCNc1nc(Cl)nnc1Cl.
What is the InChIKey of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol?
The InChIKey is VKSZECVRMXBOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N4O/c6-3-4(8-1-2-12)9-5(7)11-10-3/h12H,1-2H2,(H,8,9,11).
What are the key properties of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol?
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol has a molecular weight of 209.04 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]ethanol is sourced from PubChem (CID 81037352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).