5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine

C11H19ClN4O — CID 145119294

IUPAC5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine
SMILESCN1CCCCC1.Cn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C6H13N.C5H6ClN3O/c1-7-5-3-2-4-6-7;1-9-5(10)4(6)3(7)2-8-9/h2-6H2,1H3;2H,7H2,1H3
InChIKeyPBUHNGYSXLZVFR-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.12
Rot. Bonds

About 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine

5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine (PubChem CID 145119294) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine.

Molecular Properties

Compound Name5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine
PubChem CID145119294
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine
SMILESCN1CCCCC1.Cn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C6H13N.C5H6ClN3O/c1-7-5-3-2-4-6-7;1-9-5(10)4(6)3(7)2-8-9/h2-6H2,1H3;2H,7H2,1H3
InChIKeyPBUHNGYSXLZVFR-UHFFFAOYSA-N
XLogP1.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine?
The IUPAC name of 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine (CID 145119294) is 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine.
What is the SMILES notation for 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine?
The canonical SMILES for 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine is CN1CCCCC1.Cn1ncc(N)c(Cl)c1=O.
What is the InChIKey of 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine?
The InChIKey is PBUHNGYSXLZVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H6ClN3O/c1-7-5-3-2-4-6-7;1-9-5(10)4(6)3(7)2-8-9/h2-6H2,1H3;2H,7H2,1H3.
What are the key properties of 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine?
5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine has a molecular weight of 258.75 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-methylpyridazin-3-one;1-methylpiperidine is sourced from PubChem (CID 145119294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).