N-butylpyridazin-3-amine

C8H13N3 — CID 62483243

IUPACN-butylpyridazin-3-amine
SMILESCCCCNc1cccnn1
InChIInChI=1S/C8H13N3/c1-2-3-6-9-8-5-4-7-10-11-8/h4-5,7H,2-3,6H2,1H3,(H,9,11)
InChIKeyVMFNEIXBVQXTDL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.69
Rot. Bonds4

About N-butylpyridazin-3-amine

N-butylpyridazin-3-amine (PubChem CID 62483243) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-butylpyridazin-3-amine.

Molecular Properties

Compound NameN-butylpyridazin-3-amine
PubChem CID62483243
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-butylpyridazin-3-amine
SMILESCCCCNc1cccnn1
InChIInChI=1S/C8H13N3/c1-2-3-6-9-8-5-4-7-10-11-8/h4-5,7H,2-3,6H2,1H3,(H,9,11)
InChIKeyVMFNEIXBVQXTDL-UHFFFAOYSA-N
XLogP1.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butylpyridazin-3-amine?
The IUPAC name of N-butylpyridazin-3-amine (CID 62483243) is N-butylpyridazin-3-amine.
What is the SMILES notation for N-butylpyridazin-3-amine?
The canonical SMILES for N-butylpyridazin-3-amine is CCCCNc1cccnn1.
What is the InChIKey of N-butylpyridazin-3-amine?
The InChIKey is VMFNEIXBVQXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-6-9-8-5-4-7-10-11-8/h4-5,7H,2-3,6H2,1H3,(H,9,11).
What are the key properties of N-butylpyridazin-3-amine?
N-butylpyridazin-3-amine has a molecular weight of 151.21 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylpyridazin-3-amine is sourced from PubChem (CID 62483243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).