1-pyridazin-3-ylazetidin-3-amine;dihydrochloride

C7H12Cl2N4 — CID 91623883

IUPAC1-pyridazin-3-ylazetidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(c2cccnn2)C1
InChIInChI=1S/C7H10N4.2ClH/c8-6-4-11(5-6)7-2-1-3-9-10-7;;/h1-3,6H,4-5,8H2;2*1H
InChIKeyUNEFYZMQXHPWGG-UHFFFAOYSA-N
MW223.11 g/mol
LogP0.47
Rot. Bonds1

About 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride

1-pyridazin-3-ylazetidin-3-amine;dihydrochloride (PubChem CID 91623883) has the molecular formula C7H12Cl2N4 and a molecular weight of 223.11 g/mol. Its IUPAC name is 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-pyridazin-3-ylazetidin-3-amine;dihydrochloride
PubChem CID91623883
Molecular FormulaC7H12Cl2N4
Molecular Weight223.11 g/mol
Exact Mass222.04
IUPAC Name1-pyridazin-3-ylazetidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(c2cccnn2)C1
InChIInChI=1S/C7H10N4.2ClH/c8-6-4-11(5-6)7-2-1-3-9-10-7;;/h1-3,6H,4-5,8H2;2*1H
InChIKeyUNEFYZMQXHPWGG-UHFFFAOYSA-N
XLogP0.47
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride?
The IUPAC name of 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride (CID 91623883) is 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride?
The canonical SMILES for 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride is Cl.Cl.NC1CN(c2cccnn2)C1.
What is the InChIKey of 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride?
The InChIKey is UNEFYZMQXHPWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4.2ClH/c8-6-4-11(5-6)7-2-1-3-9-10-7;;/h1-3,6H,4-5,8H2;2*1H.
What are the key properties of 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride?
1-pyridazin-3-ylazetidin-3-amine;dihydrochloride has a molecular weight of 223.11 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-ylazetidin-3-amine;dihydrochloride is sourced from PubChem (CID 91623883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).