5-amino-4-tert-butyl-1H-pyridazin-6-one

C8H13N3O — CID 117127398

IUPAC5-amino-4-tert-butyl-1H-pyridazin-6-one
SMILESCC(C)(C)c1cn[nH]c(=O)c1N
InChIInChI=1S/C8H13N3O/c1-8(2,3)5-4-10-11-7(12)6(5)9/h4H,1-3H3,(H2,9,10)(H,11,12)
InChIKeyLHRRHACXWKSJLE-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.65
Rot. Bonds

About 5-amino-4-tert-butyl-1H-pyridazin-6-one

5-amino-4-tert-butyl-1H-pyridazin-6-one (PubChem CID 117127398) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-amino-4-tert-butyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-tert-butyl-1H-pyridazin-6-one
PubChem CID117127398
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-amino-4-tert-butyl-1H-pyridazin-6-one
SMILESCC(C)(C)c1cn[nH]c(=O)c1N
InChIInChI=1S/C8H13N3O/c1-8(2,3)5-4-10-11-7(12)6(5)9/h4H,1-3H3,(H2,9,10)(H,11,12)
InChIKeyLHRRHACXWKSJLE-UHFFFAOYSA-N
XLogP0.65
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Tert-butyl)pyridazin-3(2H)-one
CID 55269831
5-amino-4-pentyl-1H-pyridazin-6-one
CID 69019844
4-tert-butyl-5-chloro-1H-pyridazin-6-one
CID 170399645
5-methyl-4-propan-2-yl-1H-pyridazin-6-one
CID 172299468
4-tert-butyl-5-methyl-1H-pyridazin-6-one
CID 178112824
5-amino-4-ethyl-1H-pyridazin-6-one
CID 117127390
5-amino-4-propyl-1H-pyridazin-6-one
CID 117127391
5-amino-4-(2-methylpropyl)-1H-pyridazin-6-one
CID 117127392
5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one
CID 117127393
5-amino-4-propan-2-yl-1H-pyridazin-6-one
CID 117127397
5-amino-4-cyclopropyl-1H-pyridazin-6-one
CID 117127449
5-amino-4-[2-(dimethylamino)ethyl]-1H-pyridazin-6-one
CID 117127460

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-tert-butyl-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-tert-butyl-1H-pyridazin-6-one (CID 117127398) is 5-amino-4-tert-butyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-tert-butyl-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-tert-butyl-1H-pyridazin-6-one is CC(C)(C)c1cn[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-tert-butyl-1H-pyridazin-6-one?
The InChIKey is LHRRHACXWKSJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)5-4-10-11-7(12)6(5)9/h4H,1-3H3,(H2,9,10)(H,11,12).
What are the key properties of 5-amino-4-tert-butyl-1H-pyridazin-6-one?
5-amino-4-tert-butyl-1H-pyridazin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-tert-butyl-1H-pyridazin-6-one is sourced from PubChem (CID 117127398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).