N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C13H11N7O2 — CID 122300799

IUPACN-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cnc(-n3ccnc3)nc2)ccc1=O
InChIInChI=1S/C13H11N7O2/c1-19-11(21)3-2-10(18-19)12(22)17-9-6-15-13(16-7-9)20-5-4-14-8-20/h2-8H,1H3,(H,17,22)
InChIKeyHSSRJRGYGCUCJV-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.01
Rot. Bonds3

About N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 122300799) has the molecular formula C13H11N7O2 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID122300799
Molecular FormulaC13H11N7O2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC NameN-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cnc(-n3ccnc3)nc2)ccc1=O
InChIInChI=1S/C13H11N7O2/c1-19-11(21)3-2-10(18-19)12(22)17-9-6-15-13(16-7-9)20-5-4-14-8-20/h2-8H,1H3,(H,17,22)
InChIKeyHSSRJRGYGCUCJV-UHFFFAOYSA-N
XLogP0.01
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122300796
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852
N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122300931
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 86998524
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide
CID 121112607
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
CID 122300910
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide
CID 122300937
N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122300861
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-nitrobenzamide
CID 122300962

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 122300799) is N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2cnc(-n3ccnc3)nc2)ccc1=O.
What is the InChIKey of N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is HSSRJRGYGCUCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O2/c1-19-11(21)3-2-10(18-19)12(22)17-9-6-15-13(16-7-9)20-5-4-14-8-20/h2-8H,1H3,(H,17,22).
What are the key properties of N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 122300799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).