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

C7H11ClN4O — CID 2769256

IUPAC5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one
SMILESCCn1ncc(N(C)N)c(Cl)c1=O
InChIInChI=1S/C7H11ClN4O/c1-3-12-7(13)6(8)5(4-10-12)11(2)9/h4H,3,9H2,1-2H3
InChIKeyVVOGGXFLNXHYHL-UHFFFAOYSA-N
MW202.65 g/mol
LogP0.23
Rot. Bonds2

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

5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one (PubChem CID 2769256) has the molecular formula C7H11ClN4O and a molecular weight of 202.65 g/mol. Its IUPAC name is 5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one
PubChem CID2769256
Molecular FormulaC7H11ClN4O
Molecular Weight202.65 g/mol
Exact Mass202.06
IUPAC Name5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one
SMILESCCn1ncc(N(C)N)c(Cl)c1=O
InChIInChI=1S/C7H11ClN4O/c1-3-12-7(13)6(8)5(4-10-12)11(2)9/h4H,3,9H2,1-2H3
InChIKeyVVOGGXFLNXHYHL-UHFFFAOYSA-N
XLogP0.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 50.23
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'}

Analyze 5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one?
The IUPAC name of 5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one (CID 2769256) is 5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one?
The canonical SMILES for 5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one is CCn1ncc(N(C)N)c(Cl)c1=O.
What is the InChIKey of 5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one?
The InChIKey is VVOGGXFLNXHYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-3-12-7(13)6(8)5(4-10-12)11(2)9/h4H,3,9H2,1-2H3.
What are the key properties of 5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one?
5-[amino(methyl)amino]-4-chloro-2-ethylpyridazin-3-one has a molecular weight of 202.65 g/mol, XLogP of 0.23, 2 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-ethylpyridazin-3-one is sourced from PubChem (CID 2769256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).