N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine

C16H23N5 — CID 62294217

IUPACN-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(CC)Cc2ccncc2)nn1
InChIInChI=1S/C16H23N5/c1-3-9-18-12-15-5-6-16(20-19-15)21(4-2)13-14-7-10-17-11-8-14/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3
InChIKeyYQMLNCATMCIRHN-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.40
Rot. Bonds8

About N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine

N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine (PubChem CID 62294217) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine
PubChem CID62294217
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(CC)Cc2ccncc2)nn1
InChIInChI=1S/C16H23N5/c1-3-9-18-12-15-5-6-16(20-19-15)21(4-2)13-14-7-10-17-11-8-14/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3
InChIKeyYQMLNCATMCIRHN-UHFFFAOYSA-N
XLogP2.40
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine (CID 62294217) is N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine is CCCNCc1ccc(N(CC)Cc2ccncc2)nn1.
What is the InChIKey of N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine?
The InChIKey is YQMLNCATMCIRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-9-18-12-15-5-6-16(20-19-15)21(4-2)13-14-7-10-17-11-8-14/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3.
What are the key properties of N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine?
N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 62294217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).