4-(aminomethyl)-7-methyl-2H-phthalazin-1-one

C10H11N3O — CID 156651115

IUPAC4-(aminomethyl)-7-methyl-2H-phthalazin-1-one
SMILESCc1ccc2c(CN)n[nH]c(=O)c2c1
InChIInChI=1S/C10H11N3O/c1-6-2-3-7-8(4-6)10(14)13-12-9(7)5-11/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyVRRKRWRDOSZDFQ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.69
Rot. Bonds1

About 4-(aminomethyl)-7-methyl-2H-phthalazin-1-one

4-(aminomethyl)-7-methyl-2H-phthalazin-1-one (PubChem CID 156651115) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(aminomethyl)-7-methyl-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-7-methyl-2H-phthalazin-1-one
PubChem CID156651115
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(aminomethyl)-7-methyl-2H-phthalazin-1-one
SMILESCc1ccc2c(CN)n[nH]c(=O)c2c1
InChIInChI=1S/C10H11N3O/c1-6-2-3-7-8(4-6)10(14)13-12-9(7)5-11/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyVRRKRWRDOSZDFQ-UHFFFAOYSA-N
XLogP0.69
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-6-ethyl-2H-phthalazin-1-one
CID 156650949
4-(aminomethyl)-7-(oxolan-2-yl)-2H-phthalazin-1-one
CID 165123263
4-(aminomethyl)-7-[(2R)-oxolan-2-yl]-2H-phthalazin-1-one
CID 165123117
7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid
CID 156651039
4-(2-methoxy-4-methylphenyl)-7-methyl-2H-phthalazin-1-one
CID 166151476
4-(aminomethyl)-1,7-dimethyl-2H-isoquinolin-3-one
CID 118101308
3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one
CID 117274834
4-amino-7-methyl-2H-isoquinolin-1-one
CID 84654886
4-[(4-amino-2,6-dimethylphenyl)methyl]-2H-phthalazin-1-one
CID 177195970
7-amino-4-[(4-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 69152626
4-(aminomethyl)-6-[5-(5-isocyano-1-methylpyrazol-4-yl)-1-methylpyrazol-4-yl]-2H-phthalazin-1-one
CID 156656111
2-(3-methylphenoxy)ethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251291

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-7-methyl-2H-phthalazin-1-one?
The IUPAC name of 4-(aminomethyl)-7-methyl-2H-phthalazin-1-one (CID 156651115) is 4-(aminomethyl)-7-methyl-2H-phthalazin-1-one.
What is the SMILES notation for 4-(aminomethyl)-7-methyl-2H-phthalazin-1-one?
The canonical SMILES for 4-(aminomethyl)-7-methyl-2H-phthalazin-1-one is Cc1ccc2c(CN)n[nH]c(=O)c2c1.
What is the InChIKey of 4-(aminomethyl)-7-methyl-2H-phthalazin-1-one?
The InChIKey is VRRKRWRDOSZDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-2-3-7-8(4-6)10(14)13-12-9(7)5-11/h2-4H,5,11H2,1H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-7-methyl-2H-phthalazin-1-one?
4-(aminomethyl)-7-methyl-2H-phthalazin-1-one has a molecular weight of 189.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-7-methyl-2H-phthalazin-1-one is sourced from PubChem (CID 156651115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).