5-cyclobutylpyridazine-3,4-diamine

C8H12N4 — CID 122636434

IUPAC5-cyclobutylpyridazine-3,4-diamine
SMILESNc1nncc(C2CCC2)c1N
InChIInChI=1S/C8H12N4/c9-7-6(5-2-1-3-5)4-11-12-8(7)10/h4-5H,1-3H2,(H2,9,11)(H2,10,12)
InChIKeyQPYWHOGPPCZNQO-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.91
Rot. Bonds1

About 5-cyclobutylpyridazine-3,4-diamine

5-cyclobutylpyridazine-3,4-diamine (PubChem CID 122636434) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-cyclobutylpyridazine-3,4-diamine.

Molecular Properties

Compound Name5-cyclobutylpyridazine-3,4-diamine
PubChem CID122636434
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5-cyclobutylpyridazine-3,4-diamine
SMILESNc1nncc(C2CCC2)c1N
InChIInChI=1S/C8H12N4/c9-7-6(5-2-1-3-5)4-11-12-8(7)10/h4-5H,1-3H2,(H2,9,11)(H2,10,12)
InChIKeyQPYWHOGPPCZNQO-UHFFFAOYSA-N
XLogP0.91
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutylpyridazine-3,4-diamine?
The IUPAC name of 5-cyclobutylpyridazine-3,4-diamine (CID 122636434) is 5-cyclobutylpyridazine-3,4-diamine.
What is the SMILES notation for 5-cyclobutylpyridazine-3,4-diamine?
The canonical SMILES for 5-cyclobutylpyridazine-3,4-diamine is Nc1nncc(C2CCC2)c1N.
What is the InChIKey of 5-cyclobutylpyridazine-3,4-diamine?
The InChIKey is QPYWHOGPPCZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c9-7-6(5-2-1-3-5)4-11-12-8(7)10/h4-5H,1-3H2,(H2,9,11)(H2,10,12).
What are the key properties of 5-cyclobutylpyridazine-3,4-diamine?
5-cyclobutylpyridazine-3,4-diamine has a molecular weight of 164.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutylpyridazine-3,4-diamine is sourced from PubChem (CID 122636434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).