2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one

C10H15N3O — CID 62848922

IUPAC2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNCC1CC1
InChIInChI=1S/C10H15N3O/c14-10-2-1-5-12-13(10)7-6-11-8-9-3-4-9/h1-2,5,9,11H,3-4,6-8H2
InChIKeyPWTGVHNLPNNLBG-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.24
Rot. Bonds5

About 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one

2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one (PubChem CID 62848922) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one
PubChem CID62848922
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNCC1CC1
InChIInChI=1S/C10H15N3O/c14-10-2-1-5-12-13(10)7-6-11-8-9-3-4-9/h1-2,5,9,11H,3-4,6-8H2
InChIKeyPWTGVHNLPNNLBG-UHFFFAOYSA-N
XLogP0.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-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 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one (CID 62848922) is 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one is O=c1cccnn1CCNCC1CC1.
What is the InChIKey of 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one?
The InChIKey is PWTGVHNLPNNLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-2-1-5-12-13(10)7-6-11-8-9-3-4-9/h1-2,5,9,11H,3-4,6-8H2.
What are the key properties of 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one?
2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62848922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).