5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one

C6H9ClN4O — CID 2774689

IUPAC5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one
SMILESCN(N)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C6H9ClN4O/c1-10(8)4-3-9-11(2)6(12)5(4)7/h3H,8H2,1-2H3
InChIKeyUKPMAZBURJFXCB-UHFFFAOYSA-N
MW188.62 g/mol
LogP-0.26
Rot. Bonds1

About 5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one

5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one (PubChem CID 2774689) has the molecular formula C6H9ClN4O and a molecular weight of 188.62 g/mol. Its IUPAC name is 5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one
PubChem CID2774689
Molecular FormulaC6H9ClN4O
Molecular Weight188.62 g/mol
Exact Mass188.05
IUPAC Name5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one
SMILESCN(N)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C6H9ClN4O/c1-10(8)4-3-9-11(2)6(12)5(4)7/h3H,8H2,1-2H3
InChIKeyUKPMAZBURJFXCB-UHFFFAOYSA-N
XLogP-0.26
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one (CID 2774689) is 5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one is CN(N)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is UKPMAZBURJFXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O/c1-10(8)4-3-9-11(2)6(12)5(4)7/h3H,8H2,1-2H3.
What are the key properties of 5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one?
5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 188.62 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(methyl)amino]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 2774689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).