N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine

C14H13N3 — CID 10059467

IUPACN,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine
SMILESCN(C)c1ccc(C#Cc2ccccc2)nn1
InChIInChI=1S/C14H13N3/c1-17(2)14-11-10-13(15-16-14)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3
InChIKeyQWLJKVDIAITQQX-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.94
Rot. Bonds1

About N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine

N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine (PubChem CID 10059467) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine
PubChem CID10059467
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC NameN,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine
SMILESCN(C)c1ccc(C#Cc2ccccc2)nn1
InChIInChI=1S/C14H13N3/c1-17(2)14-11-10-13(15-16-14)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3
InChIKeyQWLJKVDIAITQQX-UHFFFAOYSA-N
XLogP1.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine?
The IUPAC name of N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine (CID 10059467) is N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine.
What is the SMILES notation for N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine?
The canonical SMILES for N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine is CN(C)c1ccc(C#Cc2ccccc2)nn1.
What is the InChIKey of N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine?
The InChIKey is QWLJKVDIAITQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-17(2)14-11-10-13(15-16-14)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3.
What are the key properties of N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine?
N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine has a molecular weight of 223.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(2-phenylethynyl)pyridazin-3-amine is sourced from PubChem (CID 10059467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).