6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one

C9H11N5O — CID 116788287

IUPAC6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
SMILESCn1ccc(Cn2nc(N)ccc2=O)n1
InChIInChI=1S/C9H11N5O/c1-13-5-4-7(11-13)6-14-9(15)3-2-8(10)12-14/h2-5H,6H2,1H3,(H2,10,12)
InChIKeyXKXROEWDGREDMZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.39
Rot. Bonds2

About 6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one

6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one (PubChem CID 116788287) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
PubChem CID116788287
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
SMILESCn1ccc(Cn2nc(N)ccc2=O)n1
InChIInChI=1S/C9H11N5O/c1-13-5-4-7(11-13)6-14-9(15)3-2-8(10)12-14/h2-5H,6H2,1H3,(H2,10,12)
InChIKeyXKXROEWDGREDMZ-UHFFFAOYSA-N
XLogP-0.39
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one (CID 116788287) is 6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one is Cn1ccc(Cn2nc(N)ccc2=O)n1.
What is the InChIKey of 6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is XKXROEWDGREDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-13-5-4-7(11-13)6-14-9(15)3-2-8(10)12-14/h2-5H,6H2,1H3,(H2,10,12).
What are the key properties of 6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one?
6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 205.22 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 116788287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).