3-chloropyridazine-4,5-diamine

C4H5ClN4 — CID 12705218

IUPAC3-chloropyridazine-4,5-diamine
SMILESNc1cnnc(Cl)c1N
InChIInChI=1S/C4H5ClN4/c5-4-3(7)2(6)1-8-9-4/h1H,(H2,6,9)(H2,7,8)
InChIKeySAHWCNYANVMMER-UHFFFAOYSA-N
MW144.57 g/mol
LogP0.29
Rot. Bonds

About 3-chloropyridazine-4,5-diamine

3-chloropyridazine-4,5-diamine (PubChem CID 12705218) has the molecular formula C4H5ClN4 and a molecular weight of 144.57 g/mol. Its IUPAC name is 3-chloropyridazine-4,5-diamine.

Molecular Properties

Compound Name3-chloropyridazine-4,5-diamine
PubChem CID12705218
Molecular FormulaC4H5ClN4
Molecular Weight144.57 g/mol
Exact Mass144.02
IUPAC Name3-chloropyridazine-4,5-diamine
SMILESNc1cnnc(Cl)c1N
InChIInChI=1S/C4H5ClN4/c5-4-3(7)2(6)1-8-9-4/h1H,(H2,6,9)(H2,7,8)
InChIKeySAHWCNYANVMMER-UHFFFAOYSA-N
XLogP0.29
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.57
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloropyridazine-4,5-diamine?
The IUPAC name of 3-chloropyridazine-4,5-diamine (CID 12705218) is 3-chloropyridazine-4,5-diamine.
What is the SMILES notation for 3-chloropyridazine-4,5-diamine?
The canonical SMILES for 3-chloropyridazine-4,5-diamine is Nc1cnnc(Cl)c1N.
What is the InChIKey of 3-chloropyridazine-4,5-diamine?
The InChIKey is SAHWCNYANVMMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4/c5-4-3(7)2(6)1-8-9-4/h1H,(H2,6,9)(H2,7,8).
What are the key properties of 3-chloropyridazine-4,5-diamine?
3-chloropyridazine-4,5-diamine has a molecular weight of 144.57 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyridazine-4,5-diamine is sourced from PubChem (CID 12705218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).