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

C9H12N6O — CID 116788353

IUPAC6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCCn1ncnc1Cn1nc(N)ccc1=O
InChIInChI=1S/C9H12N6O/c1-2-14-8(11-6-12-14)5-15-9(16)4-3-7(10)13-15/h3-4,6H,2,5H2,1H3,(H2,10,13)
InChIKeyJMFVSOKWUULYAJ-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.51
Rot. Bonds3

About 6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (PubChem CID 116788353) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
PubChem CID116788353
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCCn1ncnc1Cn1nc(N)ccc1=O
InChIInChI=1S/C9H12N6O/c1-2-14-8(11-6-12-14)5-15-9(16)4-3-7(10)13-15/h3-4,6H,2,5H2,1H3,(H2,10,13)
InChIKeyJMFVSOKWUULYAJ-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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (CID 116788353) is 6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is CCn1ncnc1Cn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is JMFVSOKWUULYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-2-14-8(11-6-12-14)5-15-9(16)4-3-7(10)13-15/h3-4,6H,2,5H2,1H3,(H2,10,13).
What are the key properties of 6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
6-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 6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 116788353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).