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

C7H9ClN4 — CID 90220893

IUPAC5-(1-chlorocyclopropyl)pyridazine-3,4-diamine
SMILESNc1nncc(C2(Cl)CC2)c1N
InChIInChI=1S/C7H9ClN4/c8-7(1-2-7)4-3-11-12-6(10)5(4)9/h3H,1-2H2,(H2,9,11)(H2,10,12)
InChIKeyFRTYPLOABBDHFX-UHFFFAOYSA-N
MW184.63 g/mol
LogP0.87
Rot. Bonds1

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

5-(1-chlorocyclopropyl)pyridazine-3,4-diamine (PubChem CID 90220893) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is 5-(1-chlorocyclopropyl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name5-(1-chlorocyclopropyl)pyridazine-3,4-diamine
PubChem CID90220893
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC Name5-(1-chlorocyclopropyl)pyridazine-3,4-diamine
SMILESNc1nncc(C2(Cl)CC2)c1N
InChIInChI=1S/C7H9ClN4/c8-7(1-2-7)4-3-11-12-6(10)5(4)9/h3H,1-2H2,(H2,9,11)(H2,10,12)
InChIKeyFRTYPLOABBDHFX-UHFFFAOYSA-N
XLogP0.87
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 50.87
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-chlorocyclopropyl)pyridazine-3,4-diamine?
The IUPAC name of 5-(1-chlorocyclopropyl)pyridazine-3,4-diamine (CID 90220893) is 5-(1-chlorocyclopropyl)pyridazine-3,4-diamine.
What is the SMILES notation for 5-(1-chlorocyclopropyl)pyridazine-3,4-diamine?
The canonical SMILES for 5-(1-chlorocyclopropyl)pyridazine-3,4-diamine is Nc1nncc(C2(Cl)CC2)c1N.
What is the InChIKey of 5-(1-chlorocyclopropyl)pyridazine-3,4-diamine?
The InChIKey is FRTYPLOABBDHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4/c8-7(1-2-7)4-3-11-12-6(10)5(4)9/h3H,1-2H2,(H2,9,11)(H2,10,12).
What are the key properties of 5-(1-chlorocyclopropyl)pyridazine-3,4-diamine?
5-(1-chlorocyclopropyl)pyridazine-3,4-diamine has a molecular weight of 184.63 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chlorocyclopropyl)pyridazine-3,4-diamine is sourced from PubChem (CID 90220893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).