2-methyl-4-pyridin-3-ylphthalazin-1-one

C14H11N3O — CID 10060065

IUPAC2-methyl-4-pyridin-3-ylphthalazin-1-one
SMILESCn1nc(-c2cccnc2)c2ccccc2c1=O
InChIInChI=1S/C14H11N3O/c1-17-14(18)12-7-3-2-6-11(12)13(16-17)10-5-4-8-15-9-10/h2-9H,1H3
InChIKeyMAMNFAITVADRRK-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.00
Rot. Bonds1

About 2-methyl-4-pyridin-3-ylphthalazin-1-one

2-methyl-4-pyridin-3-ylphthalazin-1-one (PubChem CID 10060065) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-4-pyridin-3-ylphthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-pyridin-3-ylphthalazin-1-one
PubChem CID10060065
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-methyl-4-pyridin-3-ylphthalazin-1-one
SMILESCn1nc(-c2cccnc2)c2ccccc2c1=O
InChIInChI=1S/C14H11N3O/c1-17-14(18)12-7-3-2-6-11(12)13(16-17)10-5-4-8-15-9-10/h2-9H,1H3
InChIKeyMAMNFAITVADRRK-UHFFFAOYSA-N
XLogP2.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyridin-3-ylphthalazin-1-one?
The IUPAC name of 2-methyl-4-pyridin-3-ylphthalazin-1-one (CID 10060065) is 2-methyl-4-pyridin-3-ylphthalazin-1-one.
What is the SMILES notation for 2-methyl-4-pyridin-3-ylphthalazin-1-one?
The canonical SMILES for 2-methyl-4-pyridin-3-ylphthalazin-1-one is Cn1nc(-c2cccnc2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-4-pyridin-3-ylphthalazin-1-one?
The InChIKey is MAMNFAITVADRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-17-14(18)12-7-3-2-6-11(12)13(16-17)10-5-4-8-15-9-10/h2-9H,1H3.
What are the key properties of 2-methyl-4-pyridin-3-ylphthalazin-1-one?
2-methyl-4-pyridin-3-ylphthalazin-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-3-ylphthalazin-1-one is sourced from PubChem (CID 10060065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).