N-ethylpyridazin-3-amine;2-methylbutanoic acid

C11H19N3O2 — CID 159018673

IUPACN-ethylpyridazin-3-amine;2-methylbutanoic acid
SMILESCCC(C)C(=O)O.CCNc1cccnn1
InChIInChI=1S/C6H9N3.C5H10O2/c1-2-7-6-4-3-5-8-9-6;1-3-4(2)5(6)7/h3-5H,2H2,1H3,(H,7,9);4H,3H2,1-2H3,(H,6,7)
InChIKeyJTKKBNJZFDFOKE-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.03
Rot. Bonds4

About N-ethylpyridazin-3-amine;2-methylbutanoic acid

N-ethylpyridazin-3-amine;2-methylbutanoic acid (PubChem CID 159018673) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-ethylpyridazin-3-amine;2-methylbutanoic acid.

Molecular Properties

Compound NameN-ethylpyridazin-3-amine;2-methylbutanoic acid
PubChem CID159018673
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-ethylpyridazin-3-amine;2-methylbutanoic acid
SMILESCCC(C)C(=O)O.CCNc1cccnn1
InChIInChI=1S/C6H9N3.C5H10O2/c1-2-7-6-4-3-5-8-9-6;1-3-4(2)5(6)7/h3-5H,2H2,1H3,(H,7,9);4H,3H2,1-2H3,(H,6,7)
InChIKeyJTKKBNJZFDFOKE-UHFFFAOYSA-N
XLogP2.03
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylpyridazin-3-amine;2-methylbutanoic acid?
The IUPAC name of N-ethylpyridazin-3-amine;2-methylbutanoic acid (CID 159018673) is N-ethylpyridazin-3-amine;2-methylbutanoic acid.
What is the SMILES notation for N-ethylpyridazin-3-amine;2-methylbutanoic acid?
The canonical SMILES for N-ethylpyridazin-3-amine;2-methylbutanoic acid is CCC(C)C(=O)O.CCNc1cccnn1.
What is the InChIKey of N-ethylpyridazin-3-amine;2-methylbutanoic acid?
The InChIKey is JTKKBNJZFDFOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C5H10O2/c1-2-7-6-4-3-5-8-9-6;1-3-4(2)5(6)7/h3-5H,2H2,1H3,(H,7,9);4H,3H2,1-2H3,(H,6,7).
What are the key properties of N-ethylpyridazin-3-amine;2-methylbutanoic acid?
N-ethylpyridazin-3-amine;2-methylbutanoic acid has a molecular weight of 225.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpyridazin-3-amine;2-methylbutanoic acid is sourced from PubChem (CID 159018673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).