4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one

C9H13N3O — CID 105438121

IUPAC4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one
SMILESNC1(CCc2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C9H13N3O/c10-9(3-4-9)2-1-7-5-8(13)12-11-6-7/h5-6H,1-4,10H2,(H,12,13)
InChIKeyLLPZIJWMQYRKOY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.19
Rot. Bonds3

About 4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one

4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one (PubChem CID 105438121) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one
PubChem CID105438121
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one
SMILESNC1(CCc2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C9H13N3O/c10-9(3-4-9)2-1-7-5-8(13)12-11-6-7/h5-6H,1-4,10H2,(H,12,13)
InChIKeyLLPZIJWMQYRKOY-UHFFFAOYSA-N
XLogP0.19
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-pentyl-1H-pyridazin-6-one
CID 69021333
4-(cyclopropylmethyl)-1H-pyridazin-6-one
CID 90901052
5-Cyclopropylpyridazin-3(2H)-one
CID 106516162
4-butyl-1H-pyridazin-6-one
CID 55269829
4-(2-methylpropyl)-1H-pyridazin-6-one
CID 55269830
4-cyclopentyl-1H-pyridazin-6-one
CID 55274590
4-(1-aminocyclopropyl)-1H-pyridazin-6-one
CID 84763250
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 4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one?
The IUPAC name of 4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one (CID 105438121) is 4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one is NC1(CCc2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one?
The InChIKey is LLPZIJWMQYRKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(3-4-9)2-1-7-5-8(13)12-11-6-7/h5-6H,1-4,10H2,(H,12,13).
What are the key properties of 4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one?
4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminocyclopropyl)ethyl]-1H-pyridazin-6-one is sourced from PubChem (CID 105438121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).