5,8-dimethyl-4a,5-dihydrophthalazine

C10H12N2 — CID 89038756

IUPAC5,8-dimethyl-4a,5-dihydrophthalazine
SMILESCC1=C2C=NN=CC2C(C)C=C1
InChIInChI=1S/C10H12N2/c1-7-3-4-8(2)10-6-12-11-5-9(7)10/h3-7,9H,1-2H3
InChIKeyDOWJUMUDMOGQDO-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.20
Rot. Bonds

About 5,8-dimethyl-4a,5-dihydrophthalazine

5,8-dimethyl-4a,5-dihydrophthalazine (PubChem CID 89038756) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,8-dimethyl-4a,5-dihydrophthalazine.

Molecular Properties

Compound Name5,8-dimethyl-4a,5-dihydrophthalazine
PubChem CID89038756
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5,8-dimethyl-4a,5-dihydrophthalazine
SMILESCC1=C2C=NN=CC2C(C)C=C1
InChIInChI=1S/C10H12N2/c1-7-3-4-8(2)10-6-12-11-5-9(7)10/h3-7,9H,1-2H3
InChIKeyDOWJUMUDMOGQDO-UHFFFAOYSA-N
XLogP2.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-4a,5-dihydrophthalazine?
The IUPAC name of 5,8-dimethyl-4a,5-dihydrophthalazine (CID 89038756) is 5,8-dimethyl-4a,5-dihydrophthalazine.
What is the SMILES notation for 5,8-dimethyl-4a,5-dihydrophthalazine?
The canonical SMILES for 5,8-dimethyl-4a,5-dihydrophthalazine is CC1=C2C=NN=CC2C(C)C=C1.
What is the InChIKey of 5,8-dimethyl-4a,5-dihydrophthalazine?
The InChIKey is DOWJUMUDMOGQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-3-4-8(2)10-6-12-11-5-9(7)10/h3-7,9H,1-2H3.
What are the key properties of 5,8-dimethyl-4a,5-dihydrophthalazine?
5,8-dimethyl-4a,5-dihydrophthalazine has a molecular weight of 160.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-4a,5-dihydrophthalazine is sourced from PubChem (CID 89038756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).