2-(3-methylphenyl)-1H-phthalazine

C15H14N2 — CID 71560617

IUPAC2-(3-methylphenyl)-1H-phthalazine
SMILESCc1cccc(N2Cc3ccccc3C=N2)c1
InChIInChI=1S/C15H14N2/c1-12-5-4-8-15(9-12)17-11-14-7-3-2-6-13(14)10-16-17/h2-10H,11H2,1H3
InChIKeyUVOPTSMSYFLBMX-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.35
Rot. Bonds1

About 2-(3-methylphenyl)-1H-phthalazine

2-(3-methylphenyl)-1H-phthalazine (PubChem CID 71560617) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1H-phthalazine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1H-phthalazine
PubChem CID71560617
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(3-methylphenyl)-1H-phthalazine
SMILESCc1cccc(N2Cc3ccccc3C=N2)c1
InChIInChI=1S/C15H14N2/c1-12-5-4-8-15(9-12)17-11-14-7-3-2-6-13(14)10-16-17/h2-10H,11H2,1H3
InChIKeyUVOPTSMSYFLBMX-UHFFFAOYSA-N
XLogP3.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-phthalazin-2-amine
CID 54178795
3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine
CID 45104990
N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine
CID 117006133
2,5-dimethyl-1-(3-methylphenyl)pyrrolidine
CID 90931230
N,N-dimethyl-1-[4-[6-(2-methylphenyl)-1H-phthalazin-2-yl]-2-(trifluoromethyl)phenyl]methanamine
CID 141138398
2,5-bis(3-methylphenyl)-3,4-dihydropyrazole
CID 20525291
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
3-(3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2,4-dihydrophthalazin-1-imine
CID 137046649
1'-(3-methylphenyl)spiro[1,3-dihydroindene-2,5'-4H-imidazole]-2'-amine
CID 79500130
2-[2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112873821
1-(3-methylphenyl)piperidine;propane
CID 143942273
N-(1H-phthalazin-2-yl)-N-propanoylpropanamide
CID 67693179

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1H-phthalazine?
The IUPAC name of 2-(3-methylphenyl)-1H-phthalazine (CID 71560617) is 2-(3-methylphenyl)-1H-phthalazine.
What is the SMILES notation for 2-(3-methylphenyl)-1H-phthalazine?
The canonical SMILES for 2-(3-methylphenyl)-1H-phthalazine is Cc1cccc(N2Cc3ccccc3C=N2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1H-phthalazine?
The InChIKey is UVOPTSMSYFLBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-12-5-4-8-15(9-12)17-11-14-7-3-2-6-13(14)10-16-17/h2-10H,11H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1H-phthalazine?
2-(3-methylphenyl)-1H-phthalazine has a molecular weight of 222.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1H-phthalazine is sourced from PubChem (CID 71560617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).