3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol

C7H12N4O2 — CID 170827583

IUPAC3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C7H12N4O2/c8-3-5(12)7(13)4-1-2-6(9)11-10-4/h1-2,5,7,12-13H,3,8H2,(H2,9,11)
InChIKeyKJDBVWUSIKPKKL-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.59
Rot. Bonds3

About 3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol

3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol (PubChem CID 170827583) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol
PubChem CID170827583
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C7H12N4O2/c8-3-5(12)7(13)4-1-2-6(9)11-10-4/h1-2,5,7,12-13H,3,8H2,(H2,9,11)
InChIKeyKJDBVWUSIKPKKL-UHFFFAOYSA-N
XLogP-1.59
TPSA118.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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(1R)-1-(6-aminopyridazin-3-yl)-2-(tert-butylamino)ethanol
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Methyl 2-(6-aminopyridazin-3-yl)-2-hydroxyacetate
CID 175078662
4-Amino-1-(6-methylpyridazin-3-yl)butan-1-ol
CID 82408293
2-Amino-1-(6-methylpyridazin-3-yl)ethanol
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2-(6-Aminopyridazin-3-yl)ethanol
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1-(6-Aminopyridazin-3-yl)propane-1,2,3-triol
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CID 170819393

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol (CID 170827583) is 3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol is NCC(O)C(O)c1ccc(N)nn1.
What is the InChIKey of 3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol?
The InChIKey is KJDBVWUSIKPKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-3-5(12)7(13)4-1-2-6(9)11-10-4/h1-2,5,7,12-13H,3,8H2,(H2,9,11).
What are the key properties of 3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol?
3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol has a molecular weight of 184.20 g/mol, XLogP of -1.59, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol is sourced from PubChem (CID 170827583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).