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

C11H11N5O2 — CID 110746244

IUPACN-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(=O)[nH]n2)nn1
InChIInChI=1S/C11H11N5O2/c1-7-2-3-8(14-13-7)6-12-11(18)9-4-5-10(17)16-15-9/h2-5H,6H2,1H3,(H,12,18)(H,16,17)
InChIKeyISDSNCVFOZGNHN-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.20
Rot. Bonds3

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

N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110746244) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110746244
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(=O)[nH]n2)nn1
InChIInChI=1S/C11H11N5O2/c1-7-2-3-8(14-13-7)6-12-11(18)9-4-5-10(17)16-15-9/h2-5H,6H2,1H3,(H,12,18)(H,16,17)
InChIKeyISDSNCVFOZGNHN-UHFFFAOYSA-N
XLogP-0.20
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794810
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47916250
N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737862
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793511
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 27718933
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103709190
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 122263899
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793666

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110746244) is N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(=O)[nH]n2)nn1.
What is the InChIKey of N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ISDSNCVFOZGNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-7-2-3-8(14-13-7)6-12-11(18)9-4-5-10(17)16-15-9/h2-5H,6H2,1H3,(H,12,18)(H,16,17).
What are the key properties of N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 245.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110746244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).