1-(6-aminopyridazin-3-yl)butane-1,2,4-triol

C8H13N3O3 — CID 171871817

IUPAC1-(6-aminopyridazin-3-yl)butane-1,2,4-triol
SMILESNc1ccc(C(O)C(O)CCO)nn1
InChIInChI=1S/C8H13N3O3/c9-7-2-1-5(10-11-7)8(14)6(13)3-4-12/h1-2,6,8,12-14H,3-4H2,(H2,9,11)
InChIKeyJDMXRUNJYXIJMT-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.16
Rot. Bonds4

About 1-(6-aminopyridazin-3-yl)butane-1,2,4-triol

1-(6-aminopyridazin-3-yl)butane-1,2,4-triol (PubChem CID 171871817) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-(6-aminopyridazin-3-yl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(6-aminopyridazin-3-yl)butane-1,2,4-triol
PubChem CID171871817
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name1-(6-aminopyridazin-3-yl)butane-1,2,4-triol
SMILESNc1ccc(C(O)C(O)CCO)nn1
InChIInChI=1S/C8H13N3O3/c9-7-2-1-5(10-11-7)8(14)6(13)3-4-12/h1-2,6,8,12-14H,3-4H2,(H2,9,11)
InChIKeyJDMXRUNJYXIJMT-UHFFFAOYSA-N
XLogP-1.16
TPSA112.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-aminopyridazin-3-yl)-3-sulfanylpropane-1,2-diol
CID 170819393
tert-butyl N-[4-(6-aminopyridazin-3-yl)-3,4-dihydroxybutyl]carbamate
CID 171884358
3-(1,2,4-trihydroxybutyl)-1H-pyridazin-6-one
CID 171871760
6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde
CID 171872080
1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol
CID 171872100
1-pyrimidin-2-ylbutane-1,2,4-triol
CID 171871708
1-(2-amino-4-methylphenyl)butane-1,2,4-triol
CID 171872034
1-(6-amino-2,4-dimethyl-3-pyridinyl)butane-1,2,4-triol
CID 171872275
1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872018
1-(5-amino-6-chloro-2-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873736
pyridazine-3,6-diamine;hydrochloride
CID 71777645
1-(3-amino-4-fluorophenyl)butane-1,2,4-triol
CID 171872014

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyridazin-3-yl)butane-1,2,4-triol?
The IUPAC name of 1-(6-aminopyridazin-3-yl)butane-1,2,4-triol (CID 171871817) is 1-(6-aminopyridazin-3-yl)butane-1,2,4-triol.
What is the SMILES notation for 1-(6-aminopyridazin-3-yl)butane-1,2,4-triol?
The canonical SMILES for 1-(6-aminopyridazin-3-yl)butane-1,2,4-triol is Nc1ccc(C(O)C(O)CCO)nn1.
What is the InChIKey of 1-(6-aminopyridazin-3-yl)butane-1,2,4-triol?
The InChIKey is JDMXRUNJYXIJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-7-2-1-5(10-11-7)8(14)6(13)3-4-12/h1-2,6,8,12-14H,3-4H2,(H2,9,11).
What are the key properties of 1-(6-aminopyridazin-3-yl)butane-1,2,4-triol?
1-(6-aminopyridazin-3-yl)butane-1,2,4-triol has a molecular weight of 199.21 g/mol, XLogP of -1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyridazin-3-yl)butane-1,2,4-triol is sourced from PubChem (CID 171871817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).