(5,6-diaminopyridazin-3-yl)methanol

C5H8N4O — CID 117104927

IUPAC(5,6-diaminopyridazin-3-yl)methanol
SMILESNc1cc(CO)nnc1N
InChIInChI=1S/C5H8N4O/c6-4-1-3(2-10)8-9-5(4)7/h1,10H,2H2,(H2,6,8)(H2,7,9)
InChIKeyKKOZQFVBPGANAB-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.87
Rot. Bonds1

About (5,6-diaminopyridazin-3-yl)methanol

(5,6-diaminopyridazin-3-yl)methanol (PubChem CID 117104927) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is (5,6-diaminopyridazin-3-yl)methanol.

Molecular Properties

Compound Name(5,6-diaminopyridazin-3-yl)methanol
PubChem CID117104927
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name(5,6-diaminopyridazin-3-yl)methanol
SMILESNc1cc(CO)nnc1N
InChIInChI=1S/C5H8N4O/c6-4-1-3(2-10)8-9-5(4)7/h1,10H,2H2,(H2,6,8)(H2,7,9)
InChIKeyKKOZQFVBPGANAB-UHFFFAOYSA-N
XLogP-0.87
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(6-Aminopyridazin-3-yl)methanol hydrochloride
CID 126797015
(6-Aminopyridazin-3-yl)methanol
CID 20557894
1-(6-Aminopyridazin-3-yl)ethenol
CID 118425956
(5-Aminopyridazin-3-yl)methanol
CID 117104926
(5-Amino-6-chloropyridazin-3-yl)methanol
CID 117104929
6-(Methoxymethyl)pyridazine-3,4-diamine
CID 117104931
(6-Amino-5-bromopyridazin-3-yl)methanol
CID 117104943
2-(5,6-Diaminopyridazin-3-yl)ethanol
CID 117104964
6-(2-Methoxyethyl)pyridazine-3,4-diamine
CID 117104968
6-(5,6-Diaminopyridazin-3-yl)cyclohexa-1,5-dien-1-ol
CID 170627844
1-(6-Aminopyridazin-3-yl)propane-1,2,3-triol
CID 170817391
1-(6-Aminopyridazin-3-yl)-3-azidopropane-1,2-diol
CID 170825539

Frequently Asked Questions

What is the IUPAC name of (5,6-diaminopyridazin-3-yl)methanol?
The IUPAC name of (5,6-diaminopyridazin-3-yl)methanol (CID 117104927) is (5,6-diaminopyridazin-3-yl)methanol.
What is the SMILES notation for (5,6-diaminopyridazin-3-yl)methanol?
The canonical SMILES for (5,6-diaminopyridazin-3-yl)methanol is Nc1cc(CO)nnc1N.
What is the InChIKey of (5,6-diaminopyridazin-3-yl)methanol?
The InChIKey is KKOZQFVBPGANAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-4-1-3(2-10)8-9-5(4)7/h1,10H,2H2,(H2,6,8)(H2,7,9).
What are the key properties of (5,6-diaminopyridazin-3-yl)methanol?
(5,6-diaminopyridazin-3-yl)methanol has a molecular weight of 140.15 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-diaminopyridazin-3-yl)methanol is sourced from PubChem (CID 117104927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).