N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide

C9H9N5O2 — CID 35426064

IUPACN-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCn1ccc(NC(=O)c2ccc(=O)[nH]n2)n1
InChIInChI=1S/C9H9N5O2/c1-14-5-4-7(13-14)10-9(16)6-2-3-8(15)12-11-6/h2-5H,1H3,(H,12,15)(H,10,13,16)
InChIKeySBWWRHJYSHNHPA-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.24
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 35426064) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID35426064
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC NameN-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCn1ccc(NC(=O)c2ccc(=O)[nH]n2)n1
InChIInChI=1S/C9H9N5O2/c1-14-5-4-7(13-14)10-9(16)6-2-3-8(15)12-11-6/h2-5H,1H3,(H,12,15)(H,10,13,16)
InChIKeySBWWRHJYSHNHPA-UHFFFAOYSA-N
XLogP-0.24
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.24
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-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 35426064) is N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide is Cn1ccc(NC(=O)c2ccc(=O)[nH]n2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is SBWWRHJYSHNHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-14-5-4-7(13-14)10-9(16)6-2-3-8(15)12-11-6/h2-5H,1H3,(H,12,15)(H,10,13,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(1-methylpyrazol-3-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 219.20 g/mol, XLogP of -0.24, 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-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 35426064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).