5-amino-4-chloro-2-methylpyridazin-3-one

C5H6ClN3O — CID 594330

IUPAC5-amino-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3
InChIKeyXNSGCNYTNLWRKM-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.02
Rot. Bonds

About 5-amino-4-chloro-2-methylpyridazin-3-one

5-amino-4-chloro-2-methylpyridazin-3-one (PubChem CID 594330) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 5-amino-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-4-chloro-2-methylpyridazin-3-one
PubChem CID594330
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name5-amino-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3
InChIKeyXNSGCNYTNLWRKM-UHFFFAOYSA-N
XLogP0.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-amino-4-chloro-2-methylpyridazin-3-one (CID 594330) is 5-amino-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-amino-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-amino-4-chloro-2-methylpyridazin-3-one is Cn1ncc(N)c(Cl)c1=O.
What is the InChIKey of 5-amino-4-chloro-2-methylpyridazin-3-one?
The InChIKey is XNSGCNYTNLWRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-9-5(10)4(6)3(7)2-8-9/h2H,7H2,1H3.
What are the key properties of 5-amino-4-chloro-2-methylpyridazin-3-one?
5-amino-4-chloro-2-methylpyridazin-3-one has a molecular weight of 159.58 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 594330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).