5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one

C6H8ClN3O — CID 84654776

IUPAC5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(CN)c(Cl)c1=O
InChIInChI=1S/C6H8ClN3O/c1-10-6(11)5(7)4(2-8)3-9-10/h3H,2,8H2,1H3
InChIKeyCUNPXUAGCRNXIQ-UHFFFAOYSA-N
MW173.60 g/mol
LogP-0.11
Rot. Bonds1

About 5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one

5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one (PubChem CID 84654776) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one
PubChem CID84654776
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(CN)c(Cl)c1=O
InChIInChI=1S/C6H8ClN3O/c1-10-6(11)5(7)4(2-8)3-9-10/h3H,2,8H2,1H3
InChIKeyCUNPXUAGCRNXIQ-UHFFFAOYSA-N
XLogP-0.11
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
4-Chloro-5-methyl-2,3-dihydropyridazin-3-one
CID 59547189
4-Chloro-2,5-dimethylpyridazin-3-one
CID 59803331
4-Chloro-5-ethyl-2-methylpyridazin-3-one
CID 60031398
4,5-Dichloro-2-methylpyridazin-3-one;hydrochloride
CID 121472658
5-chloro-4-methyl-1H-pyridazin-6-one;ethane
CID 143900026
5-(Aminomethyl)-6-chloro-2-methylpyridazin-3-one
CID 146246650
4-Chloro-2-methyl-5-[(methylamino)methyl]-3(2H)-pyridazinone
CID 164902769
4-Chloro-2,5-dimethylpyridazin-3-one;ethane
CID 164902787
2-Methyl-4,5-dichloro-3-pyridazinone-d3
CID 169148338
4-Chloro-2-methyl-5-(phosphanylmethyl)pyridazin-3-one
CID 170979116
5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium
CID 170979464

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one (CID 84654776) is 5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one is Cn1ncc(CN)c(Cl)c1=O.
What is the InChIKey of 5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one?
The InChIKey is CUNPXUAGCRNXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-10-6(11)5(7)4(2-8)3-9-10/h3H,2,8H2,1H3.
What are the key properties of 5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one?
5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one has a molecular weight of 173.60 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 84654776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).