N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C10H11N5O2 — CID 36940544

IUPACN-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCn1nccc1CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11N5O2/c1-15-7(4-5-12-15)6-11-10(17)8-2-3-9(16)14-13-8/h2-5H,6H2,1H3,(H,11,17)(H,14,16)
InChIKeyDYQFDOYOFNXUCC-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.57
Rot. Bonds3

About N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 36940544) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID36940544
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCn1nccc1CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H11N5O2/c1-15-7(4-5-12-15)6-11-10(17)8-2-3-9(16)14-13-8/h2-5H,6H2,1H3,(H,11,17)(H,14,16)
InChIKeyDYQFDOYOFNXUCC-UHFFFAOYSA-N
XLogP-0.57
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 36940544) is N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is Cn1nccc1CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is DYQFDOYOFNXUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-15-7(4-5-12-15)6-11-10(17)8-2-3-9(16)14-13-8/h2-5H,6H2,1H3,(H,11,17)(H,14,16).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 36940544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).