6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine

C12H10ClN7 — CID 170856356

IUPAC6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine
SMILESC/C(=N/Nc1ccc(Cl)nn1)c1nc2ncccc2[nH]1
InChIInChI=1S/C12H10ClN7/c1-7(17-19-10-5-4-9(13)18-20-10)11-15-8-3-2-6-14-12(8)16-11/h2-6H,1H3,(H,19,20)(H,14,15,16)/b17-7-
InChIKeyFJULTKBGYKZFRV-IDUWFGFVSA-N
MW287.71 g/mol
LogP2.24
Rot. Bonds3

About 6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine

6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine (PubChem CID 170856356) has the molecular formula C12H10ClN7 and a molecular weight of 287.71 g/mol. Its IUPAC name is 6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine
PubChem CID170856356
Molecular FormulaC12H10ClN7
Molecular Weight287.71 g/mol
Exact Mass287.07
IUPAC Name6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine
SMILESC/C(=N/Nc1ccc(Cl)nn1)c1nc2ncccc2[nH]1
InChIInChI=1S/C12H10ClN7/c1-7(17-19-10-5-4-9(13)18-20-10)11-15-8-3-2-6-14-12(8)16-11/h2-6H,1H3,(H,19,20)(H,14,15,16)/b17-7-
InChIKeyFJULTKBGYKZFRV-IDUWFGFVSA-N
XLogP2.24
TPSA91.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine (CID 170856356) is 6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine is C/C(=N/Nc1ccc(Cl)nn1)c1nc2ncccc2[nH]1.
What is the InChIKey of 6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine?
The InChIKey is FJULTKBGYKZFRV-IDUWFGFVSA-N. The full InChI is InChI=1S/C12H10ClN7/c1-7(17-19-10-5-4-9(13)18-20-10)11-15-8-3-2-6-14-12(8)16-11/h2-6H,1H3,(H,19,20)(H,14,15,16)/b17-7-.
What are the key properties of 6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine?
6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine has a molecular weight of 287.71 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]pyridazin-3-amine is sourced from PubChem (CID 170856356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).