phthalazine-1-carboxamide

C9H7N3O — CID 15271577

IUPACphthalazine-1-carboxamide
SMILESNC(=O)c1nncc2ccccc12
InChIInChI=1S/C9H7N3O/c10-9(13)8-7-4-2-1-3-6(7)5-11-12-8/h1-5H,(H2,10,13)
InChIKeyZPKLKCZILZRALT-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.73
Rot. Bonds1

About phthalazine-1-carboxamide

phthalazine-1-carboxamide (PubChem CID 15271577) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is phthalazine-1-carboxamide.

Molecular Properties

Compound Namephthalazine-1-carboxamide
PubChem CID15271577
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Namephthalazine-1-carboxamide
SMILESNC(=O)c1nncc2ccccc12
InChIInChI=1S/C9H7N3O/c10-9(13)8-7-4-2-1-3-6(7)5-11-12-8/h1-5H,(H2,10,13)
InChIKeyZPKLKCZILZRALT-UHFFFAOYSA-N
XLogP0.73
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phthalazine-1-carboxamide?
The IUPAC name of phthalazine-1-carboxamide (CID 15271577) is phthalazine-1-carboxamide.
What is the SMILES notation for phthalazine-1-carboxamide?
The canonical SMILES for phthalazine-1-carboxamide is NC(=O)c1nncc2ccccc12.
What is the InChIKey of phthalazine-1-carboxamide?
The InChIKey is ZPKLKCZILZRALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c10-9(13)8-7-4-2-1-3-6(7)5-11-12-8/h1-5H,(H2,10,13).
What are the key properties of phthalazine-1-carboxamide?
phthalazine-1-carboxamide has a molecular weight of 173.17 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phthalazine-1-carboxamide is sourced from PubChem (CID 15271577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).