N-pentan-3-ylpyridazin-3-amine

C9H15N3 — CID 62482228

IUPACN-pentan-3-ylpyridazin-3-amine
SMILESCCC(CC)Nc1cccnn1
InChIInChI=1S/C9H15N3/c1-3-8(4-2)11-9-6-5-7-10-12-9/h5-8H,3-4H2,1-2H3,(H,11,12)
InChIKeyIVAGTEFZTUDYBZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.08
Rot. Bonds4

About N-pentan-3-ylpyridazin-3-amine

N-pentan-3-ylpyridazin-3-amine (PubChem CID 62482228) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-pentan-3-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-pentan-3-ylpyridazin-3-amine
PubChem CID62482228
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-pentan-3-ylpyridazin-3-amine
SMILESCCC(CC)Nc1cccnn1
InChIInChI=1S/C9H15N3/c1-3-8(4-2)11-9-6-5-7-10-12-9/h5-8H,3-4H2,1-2H3,(H,11,12)
InChIKeyIVAGTEFZTUDYBZ-UHFFFAOYSA-N
XLogP2.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-pentan-3-ylpyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-ylpyridazin-3-amine?
The IUPAC name of N-pentan-3-ylpyridazin-3-amine (CID 62482228) is N-pentan-3-ylpyridazin-3-amine.
What is the SMILES notation for N-pentan-3-ylpyridazin-3-amine?
The canonical SMILES for N-pentan-3-ylpyridazin-3-amine is CCC(CC)Nc1cccnn1.
What is the InChIKey of N-pentan-3-ylpyridazin-3-amine?
The InChIKey is IVAGTEFZTUDYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-8(4-2)11-9-6-5-7-10-12-9/h5-8H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-pentan-3-ylpyridazin-3-amine?
N-pentan-3-ylpyridazin-3-amine has a molecular weight of 165.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-ylpyridazin-3-amine is sourced from PubChem (CID 62482228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).