5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine

C12H21ClN4O — CID 145119182

IUPAC5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine
SMILESCC1CCCCN1C.Cn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C7H15N.C5H6ClN3O/c1-7-5-3-4-6-8(7)2;1-9-5(10)4(6)3(7)2-8-9/h7H,3-6H2,1-2H3;2H,7H2,1H3
InChIKeyUQSOPAPVXGPVCV-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.51
Rot. Bonds

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

5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine (PubChem CID 145119182) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine.

Molecular Properties

Compound Name5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine
PubChem CID145119182
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine
SMILESCC1CCCCN1C.Cn1ncc(N)c(Cl)c1=O
InChIInChI=1S/C7H15N.C5H6ClN3O/c1-7-5-3-4-6-8(7)2;1-9-5(10)4(6)3(7)2-8-9/h7H,3-6H2,1-2H3;2H,7H2,1H3
InChIKeyUQSOPAPVXGPVCV-UHFFFAOYSA-N
XLogP1.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.51
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;1,2-dimethylpiperidine?
The IUPAC name of 5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine (CID 145119182) is 5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine.
What is the SMILES notation for 5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine?
The canonical SMILES for 5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine is CC1CCCCN1C.Cn1ncc(N)c(Cl)c1=O.
What is the InChIKey of 5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine?
The InChIKey is UQSOPAPVXGPVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C5H6ClN3O/c1-7-5-3-4-6-8(7)2;1-9-5(10)4(6)3(7)2-8-9/h7H,3-6H2,1-2H3;2H,7H2,1H3.
What are the key properties of 5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine?
5-amino-4-chloro-2-methylpyridazin-3-one;1,2-dimethylpiperidine has a molecular weight of 272.78 g/mol, XLogP of 1.51, 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;1,2-dimethylpiperidine is sourced from PubChem (CID 145119182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).