3-methyl-2H-phthalazine

C9H10N2 — CID 88780313

IUPAC3-methyl-2H-phthalazine
SMILESCN1C=c2ccccc2=CN1
InChIInChI=1S/C9H10N2/c1-11-7-9-5-3-2-4-8(9)6-10-11/h2-7,10H,1H3
InChIKeyRUIUTHPECGTNFW-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.39
Rot. Bonds

About 3-methyl-2H-phthalazine

3-methyl-2H-phthalazine (PubChem CID 88780313) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methyl-2H-phthalazine.

Molecular Properties

Compound Name3-methyl-2H-phthalazine
PubChem CID88780313
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-methyl-2H-phthalazine
SMILESCN1C=c2ccccc2=CN1
InChIInChI=1S/C9H10N2/c1-11-7-9-5-3-2-4-8(9)6-10-11/h2-7,10H,1H3
InChIKeyRUIUTHPECGTNFW-UHFFFAOYSA-N
XLogP-0.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-phthalazine?
The IUPAC name of 3-methyl-2H-phthalazine (CID 88780313) is 3-methyl-2H-phthalazine.
What is the SMILES notation for 3-methyl-2H-phthalazine?
The canonical SMILES for 3-methyl-2H-phthalazine is CN1C=c2ccccc2=CN1.
What is the InChIKey of 3-methyl-2H-phthalazine?
The InChIKey is RUIUTHPECGTNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-11-7-9-5-3-2-4-8(9)6-10-11/h2-7,10H,1H3.
What are the key properties of 3-methyl-2H-phthalazine?
3-methyl-2H-phthalazine has a molecular weight of 146.19 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-phthalazine is sourced from PubChem (CID 88780313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).