4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one

C11H13N3O — CID 156650949

IUPAC4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one
SMILESCCc1ccc2c(=O)[nH]nc(CN)c2c1
InChIInChI=1S/C11H13N3O/c1-2-7-3-4-8-9(5-7)10(6-12)13-14-11(8)15/h3-5H,2,6,12H2,1H3,(H,14,15)
InChIKeyFRMQMPVQWUDSGJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.94
Rot. Bonds2

About 4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one

4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one (PubChem CID 156650949) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one
PubChem CID156650949
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one
SMILESCCc1ccc2c(=O)[nH]nc(CN)c2c1
InChIInChI=1S/C11H13N3O/c1-2-7-3-4-8-9(5-7)10(6-12)13-14-11(8)15/h3-5H,2,6,12H2,1H3,(H,14,15)
InChIKeyFRMQMPVQWUDSGJ-UHFFFAOYSA-N
XLogP0.94
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one?
The IUPAC name of 4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one (CID 156650949) is 4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one.
What is the SMILES notation for 4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one?
The canonical SMILES for 4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one is CCc1ccc2c(=O)[nH]nc(CN)c2c1.
What is the InChIKey of 4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one?
The InChIKey is FRMQMPVQWUDSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-7-3-4-8-9(5-7)10(6-12)13-14-11(8)15/h3-5H,2,6,12H2,1H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one?
4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one has a molecular weight of 203.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one is sourced from PubChem (CID 156650949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).