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

C6H10ClN5O — CID 118166235

IUPAC2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol
SMILESCN(CCO)c1nnc(Cl)c(N)n1
InChIInChI=1S/C6H10ClN5O/c1-12(2-3-13)6-9-5(8)4(7)10-11-6/h13H,2-3H2,1H3,(H2,8,9,11)
InChIKeyQXOUXSPIEUGKQF-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.46
Rot. Bonds3

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

2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol (PubChem CID 118166235) has the molecular formula C6H10ClN5O and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol
PubChem CID118166235
Molecular FormulaC6H10ClN5O
Molecular Weight203.63 g/mol
Exact Mass203.06
IUPAC Name2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol
SMILESCN(CCO)c1nnc(Cl)c(N)n1
InChIInChI=1S/C6H10ClN5O/c1-12(2-3-13)6-9-5(8)4(7)10-11-6/h13H,2-3H2,1H3,(H2,8,9,11)
InChIKeyQXOUXSPIEUGKQF-UHFFFAOYSA-N
XLogP-0.46
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol?
The IUPAC name of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol (CID 118166235) is 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol is CN(CCO)c1nnc(Cl)c(N)n1.
What is the InChIKey of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol?
The InChIKey is QXOUXSPIEUGKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN5O/c1-12(2-3-13)6-9-5(8)4(7)10-11-6/h13H,2-3H2,1H3,(H2,8,9,11).
What are the key properties of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol?
2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol has a molecular weight of 203.63 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)-methylamino]ethanol is sourced from PubChem (CID 118166235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).