5-(1-chloroethyl)pyridazine-3,4-diamine

C6H9ClN4 — CID 177255606

IUPAC5-(1-chloroethyl)pyridazine-3,4-diamine
SMILESCC(Cl)c1cnnc(N)c1N
InChIInChI=1S/C6H9ClN4/c1-3(7)4-2-10-11-6(9)5(4)8/h2-3H,1H3,(H2,8,10)(H2,9,11)
InChIKeyNOCZEXZGUUSGQL-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.94
Rot. Bonds1

About 5-(1-chloroethyl)pyridazine-3,4-diamine

5-(1-chloroethyl)pyridazine-3,4-diamine (PubChem CID 177255606) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 5-(1-chloroethyl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name5-(1-chloroethyl)pyridazine-3,4-diamine
PubChem CID177255606
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name5-(1-chloroethyl)pyridazine-3,4-diamine
SMILESCC(Cl)c1cnnc(N)c1N
InChIInChI=1S/C6H9ClN4/c1-3(7)4-2-10-11-6(9)5(4)8/h2-3H,1H3,(H2,8,10)(H2,9,11)
InChIKeyNOCZEXZGUUSGQL-UHFFFAOYSA-N
XLogP0.94
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)pyridazine-3,4-diamine?
The IUPAC name of 5-(1-chloroethyl)pyridazine-3,4-diamine (CID 177255606) is 5-(1-chloroethyl)pyridazine-3,4-diamine.
What is the SMILES notation for 5-(1-chloroethyl)pyridazine-3,4-diamine?
The canonical SMILES for 5-(1-chloroethyl)pyridazine-3,4-diamine is CC(Cl)c1cnnc(N)c1N.
What is the InChIKey of 5-(1-chloroethyl)pyridazine-3,4-diamine?
The InChIKey is NOCZEXZGUUSGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-3(7)4-2-10-11-6(9)5(4)8/h2-3H,1H3,(H2,8,10)(H2,9,11).
What are the key properties of 5-(1-chloroethyl)pyridazine-3,4-diamine?
5-(1-chloroethyl)pyridazine-3,4-diamine has a molecular weight of 172.62 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)pyridazine-3,4-diamine is sourced from PubChem (CID 177255606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).