6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine

C13H21N5 — CID 83095261

IUPAC6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine
SMILESCC1CC(c2cn(C)nc2C(C)(C)C)=NN=C1N
InChIInChI=1S/C13H21N5/c1-8-6-10(15-16-12(8)14)9-7-18(5)17-11(9)13(2,3)4/h7-8H,6H2,1-5H3,(H2,14,16)
InChIKeyOHPBFLZEULWYSA-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.82
Rot. Bonds1

About 6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine

6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine (PubChem CID 83095261) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine
PubChem CID83095261
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine
SMILESCC1CC(c2cn(C)nc2C(C)(C)C)=NN=C1N
InChIInChI=1S/C13H21N5/c1-8-6-10(15-16-12(8)14)9-7-18(5)17-11(9)13(2,3)4/h7-8H,6H2,1-5H3,(H2,14,16)
InChIKeyOHPBFLZEULWYSA-UHFFFAOYSA-N
XLogP1.82
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine (CID 83095261) is 6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine is CC1CC(c2cn(C)nc2C(C)(C)C)=NN=C1N.
What is the InChIKey of 6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine?
The InChIKey is OHPBFLZEULWYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-8-6-10(15-16-12(8)14)9-7-18(5)17-11(9)13(2,3)4/h7-8H,6H2,1-5H3,(H2,14,16).
What are the key properties of 6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine?
6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine has a molecular weight of 247.35 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methyl-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 83095261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).