4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine

C17H13N3O — CID 114734506

IUPAC4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine
SMILESCc1ccc2oc(-c3nnc(N)c4ccccc34)cc2c1
InChIInChI=1S/C17H13N3O/c1-10-6-7-14-11(8-10)9-15(21-14)16-12-4-2-3-5-13(12)17(18)20-19-16/h2-9H,1H3,(H2,18,20)
InChIKeyZLAAXTAAYKLZEA-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.93
Rot. Bonds1

About 4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine

4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine (PubChem CID 114734506) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine
PubChem CID114734506
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine
SMILESCc1ccc2oc(-c3nnc(N)c4ccccc34)cc2c1
InChIInChI=1S/C17H13N3O/c1-10-6-7-14-11(8-10)9-15(21-14)16-12-4-2-3-5-13(12)17(18)20-19-16/h2-9H,1H3,(H2,18,20)
InChIKeyZLAAXTAAYKLZEA-UHFFFAOYSA-N
XLogP3.93
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine
CID 114734232
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine
CID 114733092
6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one
CID 139218793
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
CID 83240225
4-chloro-2-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine-5-carbaldehyde
CID 114734107
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 105371620
N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734511
2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine
CID 114734121
3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
CID 114734095
5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734578
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine?
The IUPAC name of 4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine (CID 114734506) is 4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine.
What is the SMILES notation for 4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine?
The canonical SMILES for 4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine is Cc1ccc2oc(-c3nnc(N)c4ccccc34)cc2c1.
What is the InChIKey of 4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine?
The InChIKey is ZLAAXTAAYKLZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-10-6-7-14-11(8-10)9-15(21-14)16-12-4-2-3-5-13(12)17(18)20-19-16/h2-9H,1H3,(H2,18,20).
What are the key properties of 4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine?
4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-benzofuran-2-yl)phthalazin-1-amine is sourced from PubChem (CID 114734506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).