7-amino-2-(cyclopropylmethyl)phthalazin-1-one

C12H13N3O — CID 71570454

IUPAC7-amino-2-(cyclopropylmethyl)phthalazin-1-one
SMILESNc1ccc2cnn(CC3CC3)c(=O)c2c1
InChIInChI=1S/C12H13N3O/c13-10-4-3-9-6-14-15(7-8-1-2-8)12(16)11(9)5-10/h3-6,8H,1-2,7,13H2
InChIKeyDQBJCDBTBZQQGF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.39
Rot. Bonds2

About 7-amino-2-(cyclopropylmethyl)phthalazin-1-one

7-amino-2-(cyclopropylmethyl)phthalazin-1-one (PubChem CID 71570454) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 7-amino-2-(cyclopropylmethyl)phthalazin-1-one.

Molecular Properties

Compound Name7-amino-2-(cyclopropylmethyl)phthalazin-1-one
PubChem CID71570454
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name7-amino-2-(cyclopropylmethyl)phthalazin-1-one
SMILESNc1ccc2cnn(CC3CC3)c(=O)c2c1
InChIInChI=1S/C12H13N3O/c13-10-4-3-9-6-14-15(7-8-1-2-8)12(16)11(9)5-10/h3-6,8H,1-2,7,13H2
InChIKeyDQBJCDBTBZQQGF-UHFFFAOYSA-N
XLogP1.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(cyclopropylmethyl)phthalazin-1-one?
The IUPAC name of 7-amino-2-(cyclopropylmethyl)phthalazin-1-one (CID 71570454) is 7-amino-2-(cyclopropylmethyl)phthalazin-1-one.
What is the SMILES notation for 7-amino-2-(cyclopropylmethyl)phthalazin-1-one?
The canonical SMILES for 7-amino-2-(cyclopropylmethyl)phthalazin-1-one is Nc1ccc2cnn(CC3CC3)c(=O)c2c1.
What is the InChIKey of 7-amino-2-(cyclopropylmethyl)phthalazin-1-one?
The InChIKey is DQBJCDBTBZQQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-10-4-3-9-6-14-15(7-8-1-2-8)12(16)11(9)5-10/h3-6,8H,1-2,7,13H2.
What are the key properties of 7-amino-2-(cyclopropylmethyl)phthalazin-1-one?
7-amino-2-(cyclopropylmethyl)phthalazin-1-one has a molecular weight of 215.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(cyclopropylmethyl)phthalazin-1-one is sourced from PubChem (CID 71570454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).