6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine

C9H14N4O — CID 117105953

IUPAC6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine
SMILESNc1cc(CC2CCCO2)nnc1N
InChIInChI=1S/C9H14N4O/c10-8-5-6(12-13-9(8)11)4-7-2-1-3-14-7/h5,7H,1-4H2,(H2,10,12)(H2,11,13)
InChIKeyBAPHMJHYVJGSSZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.36
Rot. Bonds2

About 6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine

6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine (PubChem CID 117105953) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine
PubChem CID117105953
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine
SMILESNc1cc(CC2CCCO2)nnc1N
InChIInChI=1S/C9H14N4O/c10-8-5-6(12-13-9(8)11)4-7-2-1-3-14-7/h5,7H,1-4H2,(H2,10,12)(H2,11,13)
InChIKeyBAPHMJHYVJGSSZ-UHFFFAOYSA-N
XLogP0.36
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine?
The IUPAC name of 6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine (CID 117105953) is 6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine.
What is the SMILES notation for 6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine?
The canonical SMILES for 6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine is Nc1cc(CC2CCCO2)nnc1N.
What is the InChIKey of 6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine?
The InChIKey is BAPHMJHYVJGSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8-5-6(12-13-9(8)11)4-7-2-1-3-14-7/h5,7H,1-4H2,(H2,10,12)(H2,11,13).
What are the key properties of 6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine?
6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine has a molecular weight of 194.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethyl)pyridazine-3,4-diamine is sourced from PubChem (CID 117105953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).