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

C8H13ClN4O2 — CID 102534448

IUPAC5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(N(C)N)c(Cl)c1=O
InChIInChI=1S/C8H13ClN4O2/c1-12(10)6-5-11-13(3-4-15-2)8(14)7(6)9/h5H,3-4,10H2,1-2H3
InChIKeyDBXAOXQWOSVBSZ-UHFFFAOYSA-N
MW232.67 g/mol
LogP-0.15
Rot. Bonds4

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

5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 102534448) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID102534448
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(N(C)N)c(Cl)c1=O
InChIInChI=1S/C8H13ClN4O2/c1-12(10)6-5-11-13(3-4-15-2)8(14)7(6)9/h5H,3-4,10H2,1-2H3
InChIKeyDBXAOXQWOSVBSZ-UHFFFAOYSA-N
XLogP-0.15
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one (CID 102534448) is 5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(N(C)N)c(Cl)c1=O.
What is the InChIKey of 5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is DBXAOXQWOSVBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2/c1-12(10)6-5-11-13(3-4-15-2)8(14)7(6)9/h5H,3-4,10H2,1-2H3.
What are the key properties of 5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 232.67 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(methyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 102534448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).