6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine

C9H11ClN4 — CID 600365

IUPAC6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine
SMILESClc1ccc(NN=C2CCCC2)nn1
InChIInChI=1S/C9H11ClN4/c10-8-5-6-9(14-12-8)13-11-7-3-1-2-4-7/h5-6H,1-4H2,(H,13,14)
InChIKeyDWJGMZYKAGKFQB-UHFFFAOYSA-N
MW210.67 g/mol
LogP2.47
Rot. Bonds2

About 6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine

6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine (PubChem CID 600365) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine
PubChem CID600365
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine
SMILESClc1ccc(NN=C2CCCC2)nn1
InChIInChI=1S/C9H11ClN4/c10-8-5-6-9(14-12-8)13-11-7-3-1-2-4-7/h5-6H,1-4H2,(H,13,14)
InChIKeyDWJGMZYKAGKFQB-UHFFFAOYSA-N
XLogP2.47
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine (CID 600365) is 6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine is Clc1ccc(NN=C2CCCC2)nn1.
What is the InChIKey of 6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine?
The InChIKey is DWJGMZYKAGKFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c10-8-5-6-9(14-12-8)13-11-7-3-1-2-4-7/h5-6H,1-4H2,(H,13,14).
What are the key properties of 6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine?
6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine has a molecular weight of 210.67 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopentylideneamino)pyridazin-3-amine is sourced from PubChem (CID 600365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).