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

C9H13ClN4O2 — CID 177361707

IUPAC5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one
SMILESCN(N)c1cnn(CC2COC2)c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-13(11)7-2-12-14(9(15)8(7)10)3-6-4-16-5-6/h2,6H,3-5,11H2,1H3
InChIKeyJJVGNGIKCBYHQL-UHFFFAOYSA-N
MW244.68 g/mol
LogP-0.15
Rot. Bonds3

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

5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one (PubChem CID 177361707) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one
PubChem CID177361707
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one
SMILESCN(N)c1cnn(CC2COC2)c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-13(11)7-2-12-14(9(15)8(7)10)3-6-4-16-5-6/h2,6H,3-5,11H2,1H3
InChIKeyJJVGNGIKCBYHQL-UHFFFAOYSA-N
XLogP-0.15
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
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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Related Compounds

4,5-Dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one
CID 177361694
4-Chloro-2-(2-methoxy-ethyl)-5-(N-methyl-hydrazino)-2H-pyridazin-3-one
CID 102534448
4-Chloro-5-[3-(2-methylpropoxy)propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 105681165
4-Chloro-2-ethyl-5-[3-(2-methylpropoxy)propylamino]pyridazin-3-one
CID 105681350
4-Chloro-5-[3-(2-methylpropoxy)propylamino]-2-propylpyridazin-3-one
CID 105681392
4-Chloro-5-(3-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114432647
4-Chloro-5-(3-methoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114432909
4-Chloro-2-ethyl-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
CID 114436615
2-Butyl-4-chloro-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
CID 114436617
4-Chloro-5-[(3-methoxy-2-methylpropyl)amino]-2-propan-2-ylpyridazin-3-one
CID 114436623
4-Chloro-5-[(3-methoxy-2-methylpropyl)amino]-2-propylpyridazin-3-one
CID 114436630
4-Chloro-5-[(3-methoxy-2-methylpropyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114436634

Frequently Asked Questions

What is the IUPAC name of 5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one (CID 177361707) is 5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one is CN(N)c1cnn(CC2COC2)c(=O)c1Cl.
What is the InChIKey of 5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one?
The InChIKey is JJVGNGIKCBYHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-13(11)7-2-12-14(9(15)8(7)10)3-6-4-16-5-6/h2,6H,3-5,11H2,1H3.
What are the key properties of 5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one?
5-[amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one has a molecular weight of 244.68 g/mol, XLogP of -0.15, 3 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-(oxetan-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 177361707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).