5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one

C7H10ClN3O — CID 177361909

IUPAC5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one
SMILESCC(N)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-4(9)5-3-10-11(2)7(12)6(5)8/h3-4H,9H2,1-2H3
InChIKeyFCTNYCPISFLORL-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.45
Rot. Bonds1

About 5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one

5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one (PubChem CID 177361909) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one
PubChem CID177361909
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one
SMILESCC(N)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-4(9)5-3-10-11(2)7(12)6(5)8/h3-4H,9H2,1-2H3
InChIKeyFCTNYCPISFLORL-UHFFFAOYSA-N
XLogP0.45
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 20712566
4-Chloro-5-ethyl-2-methylpyridazin-3-one
CID 60031398
5-(1-Aminoethyl)-6-chloro-2-methylpyridazin-3-one
CID 139493496
4-Chloro-2-methyl-5-[(methylamino)methyl]-3(2H)-pyridazinone
CID 164902769
5-(1-Azidoethyl)-4-chloro-2-methylpyridazin-3-one
CID 177361727
5-(1-Aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one
CID 177361747
5-(Aminomethyl)-4-chloro-2-methylpyridazin-3-one
CID 84654776

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one (CID 177361909) is 5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one is CC(N)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one?
The InChIKey is FCTNYCPISFLORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4(9)5-3-10-11(2)7(12)6(5)8/h3-4H,9H2,1-2H3.
What are the key properties of 5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one?
5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one has a molecular weight of 187.63 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 177361909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).