(6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride

C5H9ClN4 — CID 170692754

IUPAC(6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride
SMILESN/C=C1/C=CC=[NH+]N1N.[Cl-]
InChIInChI=1S/C5H8N4.ClH/c6-4-5-2-1-3-8-9(5)7;/h1-4H,6-7H2;1H/b5-4-;
InChIKeyUDEOIJUWBXWKBD-MKWAYWHRSA-N
MW160.61 g/mol
LogP-5.40
Rot. Bonds

About (6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride

(6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride (PubChem CID 170692754) has the molecular formula C5H9ClN4 and a molecular weight of 160.61 g/mol. Its IUPAC name is (6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride.

Molecular Properties

Compound Name(6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride
PubChem CID170692754
Molecular FormulaC5H9ClN4
Molecular Weight160.61 g/mol
Exact Mass160.05
IUPAC Name(6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride
SMILESN/C=C1/C=CC=[NH+]N1N.[Cl-]
InChIInChI=1S/C5H8N4.ClH/c6-4-5-2-1-3-8-9(5)7;/h1-4H,6-7H2;1H/b5-4-;
InChIKeyUDEOIJUWBXWKBD-MKWAYWHRSA-N
XLogP-5.40
TPSA69.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.61
LogP ≤ 5-5.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride?
The IUPAC name of (6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride (CID 170692754) is (6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride.
What is the SMILES notation for (6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride?
The canonical SMILES for (6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride is N/C=C1/C=CC=[NH+]N1N.[Cl-].
What is the InChIKey of (6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride?
The InChIKey is UDEOIJUWBXWKBD-MKWAYWHRSA-N. The full InChI is InChI=1S/C5H8N4.ClH/c6-4-5-2-1-3-8-9(5)7;/h1-4H,6-7H2;1H/b5-4-;.
What are the key properties of (6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride?
(6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride has a molecular weight of 160.61 g/mol, XLogP of -5.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(aminomethylidene)pyridazin-2-ium-1-amine chloride is sourced from PubChem (CID 170692754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).