2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol

C8H16N6O2 — CID 134868467

IUPAC2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol
SMILESNc1c(NCCO)nnc(NCCO)c1N
InChIInChI=1S/C8H16N6O2/c9-5-6(10)8(12-2-4-16)14-13-7(5)11-1-3-15/h15-16H,1-4H2,(H3,10,11,13)(H3,9,12,14)
InChIKeyPMPAVISDCHKBAG-UHFFFAOYSA-N
MW228.26 g/mol
LogP-1.55
Rot. Bonds6

About 2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol

2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol (PubChem CID 134868467) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol
PubChem CID134868467
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol
SMILESNc1c(NCCO)nnc(NCCO)c1N
InChIInChI=1S/C8H16N6O2/c9-5-6(10)8(12-2-4-16)14-13-7(5)11-1-3-15/h15-16H,1-4H2,(H3,10,11,13)(H3,9,12,14)
InChIKeyPMPAVISDCHKBAG-UHFFFAOYSA-N
XLogP-1.55
TPSA142.34 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5,6-triaminopyrimidin-4-yl)amino]ethanol
CID 19821122
2-[[5-(2-hydroxyethylamino)-2,3-dimethylpyrazino[2,3-d]pyridazin-8-yl]amino]ethanol
CID 134914576
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
2-[(5-amino-4,6-dimethoxypyrimidin-2-yl)amino]ethanol
CID 70987557
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]ethanol
CID 80932442
5-amino-2-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 60922494
2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethanol;dihydrochloride
CID 3019251
2-[(4-methylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-1-yl)amino]ethanol
CID 102585665
2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol
CID 82570326
2-(2,6-diaminoanilino)ethanol
CID 23362032

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol (CID 134868467) is 2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol is Nc1c(NCCO)nnc(NCCO)c1N.
What is the InChIKey of 2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol?
The InChIKey is PMPAVISDCHKBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c9-5-6(10)8(12-2-4-16)14-13-7(5)11-1-3-15/h15-16H,1-4H2,(H3,10,11,13)(H3,9,12,14).
What are the key properties of 2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol?
2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol has a molecular weight of 228.26 g/mol, XLogP of -1.55, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-diamino-6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 134868467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).