6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine

C9H17N3 — CID 64692792

IUPAC6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine
SMILESCCC(C)C1=NN=C(N)CC1C
InChIInChI=1S/C9H17N3/c1-4-6(2)9-7(3)5-8(10)11-12-9/h6-7H,4-5H2,1-3H3,(H2,10,11)
InChIKeyJIAFXPLWBRZAST-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.79
Rot. Bonds2

About 6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine

6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine (PubChem CID 64692792) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine
PubChem CID64692792
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine
SMILESCCC(C)C1=NN=C(N)CC1C
InChIInChI=1S/C9H17N3/c1-4-6(2)9-7(3)5-8(10)11-12-9/h6-7H,4-5H2,1-3H3,(H2,10,11)
InChIKeyJIAFXPLWBRZAST-UHFFFAOYSA-N
XLogP1.79
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine (CID 64692792) is 6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine is CCC(C)C1=NN=C(N)CC1C.
What is the InChIKey of 6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine?
The InChIKey is JIAFXPLWBRZAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-6(2)9-7(3)5-8(10)11-12-9/h6-7H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine?
6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine has a molecular weight of 167.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-methyl-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64692792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).