N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide

C12H9N5O2 — CID 60968085

IUPACN-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H9N5O2/c18-10-8-4-2-1-3-7(8)9(16-17-10)11(19)15-12-13-5-6-14-12/h1-6H,(H,17,18)(H2,13,14,15,19)
InChIKeyUHWWEHWUPSPMNH-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.90
Rot. Bonds2

About N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide

N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 60968085) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID60968085
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC NameN-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H9N5O2/c18-10-8-4-2-1-3-7(8)9(16-17-10)11(19)15-12-13-5-6-14-12/h1-6H,(H,17,18)(H2,13,14,15,19)
InChIKeyUHWWEHWUPSPMNH-UHFFFAOYSA-N
XLogP0.90
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 115619996
N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79042904
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18106776
4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide
CID 60555807
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39027087
4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
CID 2103773
4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-phthalazine-1-carboxamide
CID 33369765
N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43429946
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60552718
N-(1H-imidazol-2-yl)-2-(methylamino)benzamide
CID 63563761

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide (CID 60968085) is N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide is O=C(Nc1ncc[nH]1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is UHWWEHWUPSPMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c18-10-8-4-2-1-3-7(8)9(16-17-10)11(19)15-12-13-5-6-14-12/h1-6H,(H,17,18)(H2,13,14,15,19).
What are the key properties of N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 60968085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).