3-N-phenylpyridazine-3,6-diamine

C10H10N4 — CID 54028052

IUPAC3-N-phenylpyridazine-3,6-diamine
SMILESNc1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C10H10N4/c11-9-6-7-10(14-13-9)12-8-4-2-1-3-5-8/h1-7H,(H2,11,13)(H,12,14)
InChIKeyLDPYGFJKSVASMG-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.80
Rot. Bonds2

About 3-N-phenylpyridazine-3,6-diamine

3-N-phenylpyridazine-3,6-diamine (PubChem CID 54028052) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 3-N-phenylpyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-phenylpyridazine-3,6-diamine
PubChem CID54028052
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name3-N-phenylpyridazine-3,6-diamine
SMILESNc1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C10H10N4/c11-9-6-7-10(14-13-9)12-8-4-2-1-3-5-8/h1-7H,(H2,11,13)(H,12,14)
InChIKeyLDPYGFJKSVASMG-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-phenylpyridazine-3,6-diamine?
The IUPAC name of 3-N-phenylpyridazine-3,6-diamine (CID 54028052) is 3-N-phenylpyridazine-3,6-diamine.
What is the SMILES notation for 3-N-phenylpyridazine-3,6-diamine?
The canonical SMILES for 3-N-phenylpyridazine-3,6-diamine is Nc1ccc(Nc2ccccc2)nn1.
What is the InChIKey of 3-N-phenylpyridazine-3,6-diamine?
The InChIKey is LDPYGFJKSVASMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-9-6-7-10(14-13-9)12-8-4-2-1-3-5-8/h1-7H,(H2,11,13)(H,12,14).
What are the key properties of 3-N-phenylpyridazine-3,6-diamine?
3-N-phenylpyridazine-3,6-diamine has a molecular weight of 186.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenylpyridazine-3,6-diamine is sourced from PubChem (CID 54028052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).