6-(oxolan-3-yl)pyridazine-3,4-diamine

C8H12N4O — CID 117104995

IUPAC6-(oxolan-3-yl)pyridazine-3,4-diamine
SMILESNc1cc(C2CCOC2)nnc1N
InChIInChI=1S/C8H12N4O/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,9,11)(H2,10,12)
InChIKeyBWOSJNLYXKGWED-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.14
Rot. Bonds1

About 6-(oxolan-3-yl)pyridazine-3,4-diamine

6-(oxolan-3-yl)pyridazine-3,4-diamine (PubChem CID 117104995) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-(oxolan-3-yl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-(oxolan-3-yl)pyridazine-3,4-diamine
PubChem CID117104995
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name6-(oxolan-3-yl)pyridazine-3,4-diamine
SMILESNc1cc(C2CCOC2)nnc1N
InChIInChI=1S/C8H12N4O/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,9,11)(H2,10,12)
InChIKeyBWOSJNLYXKGWED-UHFFFAOYSA-N
XLogP0.14
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-3-yl)pyridazine-3,4-diamine?
The IUPAC name of 6-(oxolan-3-yl)pyridazine-3,4-diamine (CID 117104995) is 6-(oxolan-3-yl)pyridazine-3,4-diamine.
What is the SMILES notation for 6-(oxolan-3-yl)pyridazine-3,4-diamine?
The canonical SMILES for 6-(oxolan-3-yl)pyridazine-3,4-diamine is Nc1cc(C2CCOC2)nnc1N.
What is the InChIKey of 6-(oxolan-3-yl)pyridazine-3,4-diamine?
The InChIKey is BWOSJNLYXKGWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,9,11)(H2,10,12).
What are the key properties of 6-(oxolan-3-yl)pyridazine-3,4-diamine?
6-(oxolan-3-yl)pyridazine-3,4-diamine has a molecular weight of 180.21 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-3-yl)pyridazine-3,4-diamine is sourced from PubChem (CID 117104995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).