6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one

C10H14ClN3O — CID 105485035

IUPAC6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one
SMILESCn1nc(CCC2(N)CC2)cc(Cl)c1=O
InChIInChI=1S/C10H14ClN3O/c1-14-9(15)8(11)6-7(13-14)2-3-10(12)4-5-10/h6H,2-5,12H2,1H3
InChIKeyAPJQNNMTOGNVMI-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.86
Rot. Bonds3

About 6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one

6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one (PubChem CID 105485035) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one
PubChem CID105485035
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one
SMILESCn1nc(CCC2(N)CC2)cc(Cl)c1=O
InChIInChI=1S/C10H14ClN3O/c1-14-9(15)8(11)6-7(13-14)2-3-10(12)4-5-10/h6H,2-5,12H2,1H3
InChIKeyAPJQNNMTOGNVMI-UHFFFAOYSA-N
XLogP0.86
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-Aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one
CID 84775525
6-[2-(1-Aminocyclopropyl)ethyl]-2-methylpyridazin-3-one
CID 105447206
6-[2-(1-Aminocyclopropyl)ethyl]-2-ethylpyridazin-3-one
CID 105460675
6-[2-(1-Aminocyclopropyl)ethyl]-2-propan-2-ylpyridazin-3-one
CID 105477958
6-[2-(1-Aminocyclopropyl)ethyl]-4-bromo-2-methylpyridazin-3-one
CID 105519111

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one (CID 105485035) is 6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one is Cn1nc(CCC2(N)CC2)cc(Cl)c1=O.
What is the InChIKey of 6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is APJQNNMTOGNVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14-9(15)8(11)6-7(13-14)2-3-10(12)4-5-10/h6H,2-5,12H2,1H3.
What are the key properties of 6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one?
6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 227.69 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-aminocyclopropyl)ethyl]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 105485035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).