N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C9H11N5O2 — CID 60714240

IUPACN-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCn1ccc(NC(=O)C2=NNC(=O)CC2)n1
InChIInChI=1S/C9H11N5O2/c1-14-5-4-7(13-14)10-9(16)6-2-3-8(15)12-11-6/h4-5H,2-3H2,1H3,(H,12,15)(H,10,13,16)
InChIKeyOTRICBXHELDBGU-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.38
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60714240) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60714240
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC NameN-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCn1ccc(NC(=O)C2=NNC(=O)CC2)n1
InChIInChI=1S/C9H11N5O2/c1-14-5-4-7(13-14)10-9(16)6-2-3-8(15)12-11-6/h4-5H,2-3H2,1H3,(H,12,15)(H,10,13,16)
InChIKeyOTRICBXHELDBGU-UHFFFAOYSA-N
XLogP-0.38
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60714240) is N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cn1ccc(NC(=O)C2=NNC(=O)CC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is OTRICBXHELDBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-14-5-4-7(13-14)10-9(16)6-2-3-8(15)12-11-6/h4-5H,2-3H2,1H3,(H,12,15)(H,10,13,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 221.22 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60714240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).