4-butyl-N-ethylpyridazin-3-amine

C10H17N3 — CID 126545552

IUPAC4-butyl-N-ethylpyridazin-3-amine
SMILESCCCCc1ccnnc1NCC
InChIInChI=1S/C10H17N3/c1-3-5-6-9-7-8-12-13-10(9)11-4-2/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyLOBOXEMOBMZLIQ-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.25
Rot. Bonds5

About 4-butyl-N-ethylpyridazin-3-amine

4-butyl-N-ethylpyridazin-3-amine (PubChem CID 126545552) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-butyl-N-ethylpyridazin-3-amine.

Molecular Properties

Compound Name4-butyl-N-ethylpyridazin-3-amine
PubChem CID126545552
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-butyl-N-ethylpyridazin-3-amine
SMILESCCCCc1ccnnc1NCC
InChIInChI=1S/C10H17N3/c1-3-5-6-9-7-8-12-13-10(9)11-4-2/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyLOBOXEMOBMZLIQ-UHFFFAOYSA-N
XLogP2.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-ethylpyridazin-3-amine?
The IUPAC name of 4-butyl-N-ethylpyridazin-3-amine (CID 126545552) is 4-butyl-N-ethylpyridazin-3-amine.
What is the SMILES notation for 4-butyl-N-ethylpyridazin-3-amine?
The canonical SMILES for 4-butyl-N-ethylpyridazin-3-amine is CCCCc1ccnnc1NCC.
What is the InChIKey of 4-butyl-N-ethylpyridazin-3-amine?
The InChIKey is LOBOXEMOBMZLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-5-6-9-7-8-12-13-10(9)11-4-2/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 4-butyl-N-ethylpyridazin-3-amine?
4-butyl-N-ethylpyridazin-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-ethylpyridazin-3-amine is sourced from PubChem (CID 126545552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).