N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine

C19H13ClN4 — CID 6411904

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine
SMILESClc1ccc(N/N=C\c2c3ccccc3cc3ccccc23)nn1
InChIInChI=1S/C19H13ClN4/c20-18-9-10-19(24-22-18)23-21-12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-12H,(H,23,24)/b21-12-
InChIKeyDRDCTZVNASHLAR-MTJSOVHGSA-N
MW332.79 g/mol
LogP4.88
Rot. Bonds3

About N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine

N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine (PubChem CID 6411904) has the molecular formula C19H13ClN4 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine
PubChem CID6411904
Molecular FormulaC19H13ClN4
Molecular Weight332.79 g/mol
Exact Mass332.08
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine
SMILESClc1ccc(N/N=C\c2c3ccccc3cc3ccccc23)nn1
InChIInChI=1S/C19H13ClN4/c20-18-9-10-19(24-22-18)23-21-12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-12H,(H,23,24)/b21-12-
InChIKeyDRDCTZVNASHLAR-MTJSOVHGSA-N
XLogP4.88
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.88
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine (CID 6411904) is N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine is Clc1ccc(N/N=C\c2c3ccccc3cc3ccccc23)nn1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine?
The InChIKey is DRDCTZVNASHLAR-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H13ClN4/c20-18-9-10-19(24-22-18)23-21-12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-12H,(H,23,24)/b21-12-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine?
N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine has a molecular weight of 332.79 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine is sourced from PubChem (CID 6411904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).