4-(aminomethyl)-2H-phthalazin-1-one

C9H9N3O — CID 816623

IUPAC4-(aminomethyl)-2H-phthalazin-1-one
SMILESNCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C9H9N3O/c10-5-8-6-3-1-2-4-7(6)9(13)12-11-8/h1-4H,5,10H2,(H,12,13)
InChIKeyBCORFYODLSYUNB-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.38
Rot. Bonds1

About 4-(aminomethyl)-2H-phthalazin-1-one

4-(aminomethyl)-2H-phthalazin-1-one (PubChem CID 816623) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(aminomethyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-2H-phthalazin-1-one
PubChem CID816623
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(aminomethyl)-2H-phthalazin-1-one
SMILESNCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C9H9N3O/c10-5-8-6-3-1-2-4-7(6)9(13)12-11-8/h1-4H,5,10H2,(H,12,13)
InChIKeyBCORFYODLSYUNB-UHFFFAOYSA-N
XLogP0.38
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(aminomethyl)-2H-phthalazin-1-one (CID 816623) is 4-(aminomethyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(aminomethyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(aminomethyl)-2H-phthalazin-1-one is NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-(aminomethyl)-2H-phthalazin-1-one?
The InChIKey is BCORFYODLSYUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-5-8-6-3-1-2-4-7(6)9(13)12-11-8/h1-4H,5,10H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-2H-phthalazin-1-one?
4-(aminomethyl)-2H-phthalazin-1-one has a molecular weight of 175.19 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2H-phthalazin-1-one is sourced from PubChem (CID 816623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).