3-N-pyrimidin-4-ylpyridazine-3,6-diamine

C8H8N6 — CID 83618963

IUPAC3-N-pyrimidin-4-ylpyridazine-3,6-diamine
SMILESNc1ccc(Nc2ccncn2)nn1
InChIInChI=1S/C8H8N6/c9-6-1-2-8(14-13-6)12-7-3-4-10-5-11-7/h1-5H,(H2,9,13)(H,10,11,12,14)
InChIKeyLSLJONHYDPMWFF-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.59
Rot. Bonds2

About 3-N-pyrimidin-4-ylpyridazine-3,6-diamine

3-N-pyrimidin-4-ylpyridazine-3,6-diamine (PubChem CID 83618963) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-N-pyrimidin-4-ylpyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-pyrimidin-4-ylpyridazine-3,6-diamine
PubChem CID83618963
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name3-N-pyrimidin-4-ylpyridazine-3,6-diamine
SMILESNc1ccc(Nc2ccncn2)nn1
InChIInChI=1S/C8H8N6/c9-6-1-2-8(14-13-6)12-7-3-4-10-5-11-7/h1-5H,(H2,9,13)(H,10,11,12,14)
InChIKeyLSLJONHYDPMWFF-UHFFFAOYSA-N
XLogP0.59
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-pyrimidin-4-ylpyridazine-3,6-diamine?
The IUPAC name of 3-N-pyrimidin-4-ylpyridazine-3,6-diamine (CID 83618963) is 3-N-pyrimidin-4-ylpyridazine-3,6-diamine.
What is the SMILES notation for 3-N-pyrimidin-4-ylpyridazine-3,6-diamine?
The canonical SMILES for 3-N-pyrimidin-4-ylpyridazine-3,6-diamine is Nc1ccc(Nc2ccncn2)nn1.
What is the InChIKey of 3-N-pyrimidin-4-ylpyridazine-3,6-diamine?
The InChIKey is LSLJONHYDPMWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6/c9-6-1-2-8(14-13-6)12-7-3-4-10-5-11-7/h1-5H,(H2,9,13)(H,10,11,12,14).
What are the key properties of 3-N-pyrimidin-4-ylpyridazine-3,6-diamine?
3-N-pyrimidin-4-ylpyridazine-3,6-diamine has a molecular weight of 188.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-pyrimidin-4-ylpyridazine-3,6-diamine is sourced from PubChem (CID 83618963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).