5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one

C11H17N3O — CID 84779714

IUPAC5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one
SMILESCC(C)(C)n1ncc(C2(N)CC2)cc1=O
InChIInChI=1S/C11H17N3O/c1-10(2,3)14-9(15)6-8(7-13-14)11(12)4-5-11/h6-7H,4-5,12H2,1-3H3
InChIKeyDTVJMDQVKLJZON-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.95
Rot. Bonds1

About 5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one

5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one (PubChem CID 84779714) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one
PubChem CID84779714
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one
SMILESCC(C)(C)n1ncc(C2(N)CC2)cc1=O
InChIInChI=1S/C11H17N3O/c1-10(2,3)14-9(15)6-8(7-13-14)11(12)4-5-11/h6-7H,4-5,12H2,1-3H3
InChIKeyDTVJMDQVKLJZON-UHFFFAOYSA-N
XLogP0.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Ditert-butylpyridazin-3-one
CID 60052312
2,5-Ditert-butylpyridazin-3-one;ethane
CID 161842620
4-(1-aminocyclopropyl)-1H-pyridazin-6-one
CID 84763250
5-(1-Aminocyclopropyl)-2-ethylpyridazin-3-one
CID 84767900
5-[2-(1-Aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one
CID 105460676
5-[2-(1-Aminocyclopropyl)ethyl]-2-tert-butylpyridazin-3-one
CID 105496764

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one?
The IUPAC name of 5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one (CID 84779714) is 5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one.
What is the SMILES notation for 5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one?
The canonical SMILES for 5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one is CC(C)(C)n1ncc(C2(N)CC2)cc1=O.
What is the InChIKey of 5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one?
The InChIKey is DTVJMDQVKLJZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10(2,3)14-9(15)6-8(7-13-14)11(12)4-5-11/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one?
5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-2-tert-butylpyridazin-3-one is sourced from PubChem (CID 84779714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).