5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

C9H12N6O — CID 103218301

IUPAC5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCCn1ncnc1Cn1ncc(N)cc1=O
InChIInChI=1S/C9H12N6O/c1-2-14-8(11-6-13-14)5-15-9(16)3-7(10)4-12-15/h3-4,6H,2,5,10H2,1H3
InChIKeyRSEYEZHQIVJGRE-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.51
Rot. Bonds3

About 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (PubChem CID 103218301) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
PubChem CID103218301
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCCn1ncnc1Cn1ncc(N)cc1=O
InChIInChI=1S/C9H12N6O/c1-2-14-8(11-6-13-14)5-15-9(16)3-7(10)4-12-15/h3-4,6H,2,5,10H2,1H3
InChIKeyRSEYEZHQIVJGRE-UHFFFAOYSA-N
XLogP-0.51
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]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

Related Compounds

5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218195
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62694920
6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 116788353
5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103218225
5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79542440
5-[2-aminoethyl(methyl)amino]-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223341
5-amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one
CID 103218315
5-[(3,5-diethylpyrazol-1-yl)methyl]-1-ethyl-1,2,4-triazole
CID 82699222
5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one
CID 104505818
5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one
CID 114268942
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105111398

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (CID 103218301) is 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is CCn1ncnc1Cn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is RSEYEZHQIVJGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-2-14-8(11-6-13-14)5-15-9(16)3-7(10)4-12-15/h3-4,6H,2,5,10H2,1H3.
What are the key properties of 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 220.24 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103218301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).